Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.56 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL33727 | 0.90 | CYP2A6 (0.60) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Hydrochloric Acid SCHEMBL30153511 | 0.90 | CYP2A6 (0.60) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Methyl Alcohol SCHEMBL28872570 | 0.88 | CYP2A6 (0.58) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| SCHEMBL8200911 | 0.87 | LDHA (0.51) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Propionic Acid SCHEMBL8210148 | 0.87 | LDHA (0.51) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Dimethylamine SCHEMBL10431884 | 0.84 | CYP2A6 (0.54) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Pyrene SCHEMBL2167405 | 0.82 | ALDH1A1 (0.55) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| SCHEMBL27742388 | 0.81 | CYP1A2 (0.47) | LDHAPTPN22CYP1A2CYP2A6TSHR | |
| Phenanthrene SCHEMBL11152558 | 0.81 | ALDH1A1 (0.63) | LDHACYP1A2CYP2A6TSHRMEN1 | |
| 1-Naphthol SCHEMBL8960709 | 0.81 | CYP1A2 (0.65) | LDHAPTPN22CYP1A2CYP2A6TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1494995-B1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | PROCTER & GAMBLE (US) | 2010-09-22 | — | — | EP | claimed |
| US-RE41549-E1 | Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives | WELLA AG (DE) | 2010-08-24 | — | — | US | claimed |
| EP-1670423-B1 | DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES | WELLA AG (DE) | 2008-10-08 | — | — | EP | claimed |
| EP-1601335-B1 | MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES | WELLA AG (DE) | 2008-03-19 | — | — | EP | claimed |
| US-7326254-B2 | Means and method for the simultaneous bleaching and dyeing of keratin fibres | WELLA AG (DE) | 2008-02-05 | — | — | US | claimed |
| EP-1351945-B1 | NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2008-01-23 | — | — | EP | claimed |
| EP-1599178-B1 | MEANS AND METHOD FOR DYEING KERATIN FIBRES | WELLA AG (DE) | 2007-12-19 | — | — | EP | claimed |
| US-7294151-B2 | Means and method for dyeing keratin fibres | WELLA AG (DE) | 2007-11-13 | — | — | US | claimed |
| US-7291183-B2 | Agent and method for dyeing keratin fibers | WELLA AG (DE) | 2007-11-06 | — | — | US | claimed |
| US-20070169287-A1 | P-diaminobenzene derivatives and dyes containing these compounds | THE PROCTER & GAMBLE COMPANY (US) | 2007-07-26 | — | — | US | claimed |
| US-20030110578-A1 | Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2003-06-19 | — | — | US | claimed |
| US-20030070241-A1 | Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2003-04-17 | — | — | US | claimed |
| US-20020189033-A1 | Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2002-12-19 | — | — | US | claimed |
| US-20020166181-A1 | N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives | CHASSOT LAURENT (CH) | 2002-11-14 | — | — | US | claimed |
| US-6436152-B1 | Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-08-20 | — | — | US | claimed |
| EP-0963982-B1 | New diaminobenzene derivatives and these componends containing colouring agents | WELLA AG (DE) | 2002-03-13 | — | — | EP | claimed |
| US-20010054207-A1 | p-aminophenol derivative compounds and dye compositions containing same | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2001-12-27 | — | — | US | claimed |
| EP-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | claimed |
| US-6132475-A | FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | claimed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020189033-A1 | Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same | DDT, CYP1B1, ALDH7A1 | LDHA 1237/4885PTPN22 3749/4885CYP1A2 66/4885 |
| US-20070169287-A1 | P-diaminobenzene derivatives and dyes containing these compounds | KRT18, DSP, DSG1 | LDHA 909/4885PTPN22 2793/4885CYP1A2 1668/4885 |
| US-20030070241-A1 | Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same | DDT, ALDH7A1, DDC | LDHA 843/4885PTPN22 4165/4885CYP1A2 141/4885 |
| US-20020166181-A1 | N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives | KRT18, KPNB1, VIM | LDHA 2660/4885PTPN22 3371/4885CYP1A2 3909/4885 |
| US-20010054207-A1 | p-aminophenol derivative compounds and dye compositions containing same | KRT18, AASDHPPT, S100P | LDHA 1735/4885PTPN22 2625/4885CYP1A2 276/4885 |
| US-20030110578-A1 | Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same | KRT18, AOC1, DAO | LDHA 779/4885PTPN22 3522/4885CYP1A2 482/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.