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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | G6PD | P11413 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
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 SCHEMBL2598906 | 1.00 | KDM4E (0.53) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2456414 | 0.95 | KDM4E (0.56) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2456411 | 0.95 | KDM4E (0.56) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8827775 | 0.95 | KDM4E (0.61) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL8827779 | 0.95 | KDM4E (0.61) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Pivalate SCHEMBL10660822 | 0.93 | KDM4E (0.50) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| Heptanoate SCHEMBL2456920 | 0.86 | KDM4E (0.45) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9727221 | 0.83 | KDM4E (0.46) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2453702 | 0.83 | ACHE (0.49) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2453700 | 0.83 | ACHE (0.49) | KDM4EMAPTALDH1A1SMN1; SMN2LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110224128-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY | WHALEN ANNE | 2011-09-15 | — | — | US | disclosed |
| US-5663190-A | INHIBITORS OF ACETYLCHOLINESTERASE, TREATMENT OF ALZHEIMER*S DISEASE | HOECHST MARION ROUSSEL, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5639892-A | ANTIDEPRESSANTS, ALZHEIMER'S DISEASE | HOECHST-MARION-ROUSSEL, INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5621114-A | REACTING A THIO OR PHENOL COMPOUND WITH 1,1-CARBONYLIMIDAZOLE OR 1,1-THIOCARBONYLDIIMIDAZOLE, REACTING THE INTERMEDIATE WITH SECONDARY AMINE COMPOUND; USEFUL AS ANALGESIC AND MEMORY ENHANCING AGENT | HOECHST MARION ROUSSEL, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5550254-A | REACTING CARBOXYLIC ACID WITH CARBONYLDIIMIDAZOLE OR THIOCARBONYLDIIMIDAZOLE, ADDING PHENOL OR THIOPHENOL COMPOUND | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| US-5550253-A | REACTING PHENOL OR THIOPHENOL DERIVATIVE WITH LOWER ALKYL P-TOLUENESULFONATE, OPTIONALLY REDUCING NITRO GROUPS TO AMINO GROUPS AND ACYLATING OR ALKYLATING THEM | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| US-5547977-A | Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-20 | — | — | US | disclosed |
| US-5541340-A | Method of preparing 1,2,3,3a,8,8a-hexahydro-3a,8(and 1,3a,8)-Di(and Tri)methylpyrrolo[2,3,-b] indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5541216-A | Memory enhancing and analgsic 1,2,3,3A,8,8A-Hexahydro--3A, 8(And1,3A,8)-Di (and Tri) Methylpyrrolo(2,3-B Indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-4791107-A | Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0253372-A2 | 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-01-20 | — | — | EP | 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 (1 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-20110224128-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY | PYGM, TNNC1, MYOF | OPRK1 4227/4885KDM4E 2360/4885MAPT 2484/4885 |
“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.