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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1468336 | 0.93 | ALDH1A1 (0.44) | ALDH1A1LMNACES2CES1FBP1 | |
| Acetic Acid SCHEMBL49139 | 0.91 | CA2 (0.46) | ALDH1A1CES2CES1POLBCA2 | |
| Acetic Acid SCHEMBL12613566 | 0.88 | CA2 (0.44) | ALDH1A1CES2CES1POLBCA2 | |
| Acetic Acid SCHEMBL9450967 | 0.86 | CA2 (0.42) | ALDH1A1CES2CES1POLBCA2 | |
| SCHEMBL5403 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1FBP1 | |
| SCHEMBL14976941 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1FBP1 | |
| Acetic Acid SCHEMBL14977040 | 0.80 | OPRM1 (0.39) | ALDH1A1CES2CES1POLBCA2 | |
| Bicarbonate SCHEMBL2810754 | 0.80 | CA2 (0.50) | ALDH1A1CES2CES1MAPK1POLB | |
| Methacrylic Acid SCHEMBL10896945 | 0.77 | ALDH1A1 (0.47) | ALDH1A1LMNACES2CES1POLB | |
| Nitrobenzene SCHEMBL28472005 | 0.77 | ALDH1A1 (0.73) | ALDH1A1LMNACES2CES1MAPK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170112853-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | ALLERGAN INC (US) | 2017-04-27 | — | — | US | disclosed |
| US-9474760-B2 | Hypotensive lipid and timolol compositions and methods of using same | ALLERGAN, INC. (US) | 2016-10-25 | — | — | US | disclosed |
| US-20150150880-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | ALLERGAN INC (US) | 2015-06-04 | — | — | US | disclosed |
| US-8906907-B2 | Hypotensive lipid and timolol compositions and methods of using same | ALLERGAN, INC. (US) | 2014-12-09 | — | — | US | disclosed |
| US-20140051704-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | ALLERGAN, INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-8618093-B2 | Hypotensive lipid and timolol compositions and methods of using same | ALLERGAN, INC. (US) | 2013-12-31 | — | — | US | disclosed |
| US-20090181969-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | ALLERGAN, INC. (US) | 2009-07-16 | — | — | US | disclosed |
| US-20030069286-A1 | Hypotensive lipid and timolol compositions and methods of using same | BARDEEN SCIENCES CO., LLC | 2003-04-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-20150150880-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | APOB, HDLBP, LIPC | ALDH1A1 1407/4885LMNA 811/4885CES2 2446/4885 |
| US-20140051704-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | APOB, HDLBP, LIPC | ALDH1A1 1464/4885LMNA 784/4885CES2 2394/4885 |
| US-20090181969-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | APOB, HDLBP, LIPC | ALDH1A1 1407/4885LMNA 811/4885CES2 2446/4885 |
| US-20170112853-A1 | Hypotensive Lipid And Timolol Compositions And Methods Of Using Same | APOB, HDLBP, LIPC | ALDH1A1 1407/4885LMNA 811/4885CES2 2446/4885 |
| US-20030069286-A1 | Hypotensive lipid and timolol compositions and methods of using same | APOB, HDLBP, LIPC | ALDH1A1 1407/4885LMNA 811/4885CES2 2446/4885 |
“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.