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 | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2870562 | 0.94 | CA12 (0.44) | NOTUMMAPK1KMT2ACA12CA1 | |
| Hydrochloric Acid SCHEMBL8836099 | 0.92 | CA12 (0.43) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL8836614 | 0.84 | LMNA (0.47) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL8117131 | 0.81 | TSHR (0.47) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL10973432 | 0.79 | NOTUM (0.55) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL30371592 | 0.79 | NOTUM (0.55) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL7243122 | 0.79 | NTSR1 (0.47) | KMT2ANTSR1RAB9AALDH1A1 | |
| SCHEMBL4096892 | 0.77 | KMT2A (0.49) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL31414100 | 0.76 | LMNA (0.47) | NOTUMMAPK1KMT2ACA12CA1 | |
| SCHEMBL4114440 | 0.76 | LMNA (0.47) | NOTUMMAPK1KMT2ACA12CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5319096-A | Neuroprotective agent | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-06-07 | — | — | US | claimed |
| US-5646300-A | NEUROPROTECTIVE AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1997-07-08 | — | — | US | disclosed |
| US-5591866-A | NEUROPROTECTIVE AGENTS | HOECHST MARION ROUSSEL INC. (US) | 1997-01-07 | — | — | US | disclosed |
| US-5565579-A | NEUROPROTECTIVE AGENT | HOECHST MARION ROUSSEL INC. (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0563916-B1 | (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1995-08-16 | — | — | EP | disclosed |
| US-5319096-A | Neuroprotective agent | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0563916-A1 | (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-10-06 | — | — | EP | disclosed |