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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
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 SCHEMBL10657702 | 1.00 | CYP2D6 (0.44) | CYP2D6SMN1; SMN2MEN1KMT2ALMNA | |
| Acetic Acid SCHEMBL10657697 | 1.00 | CYP2D6 (0.44) | CYP2D6SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL6437154 | 0.92 | BCHE (0.43) | MEN1KMT2AALDH1A1BCHEKDM4E | |
| SCHEMBL2064742 | 0.92 | BCHE (0.43) | MEN1KMT2AALDH1A1BCHEKDM4E | |
| SCHEMBL6436095 | 0.92 | BCHE (0.43) | MEN1KMT2AALDH1A1BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL29199502 | 0.91 | BCHE (0.42) | MEN1KMT2AALDH1A1BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL11535212 | 0.91 | BCHE (0.42) | MEN1KMT2AALDH1A1BCHEKDM4E | |
| Formic Acid SCHEMBL2065536 | 0.90 | BCHE (0.41) | CYP2D6SMN1; SMN2MEN1KMT2ALMNA | |
| Oxalic Acid SCHEMBL11370939 | 0.81 | MEN1 (0.44) | SMN1; SMN2MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL11363948 | 0.79 | SLC22A1 (0.44) | SMN1; SMN2MEN1KMT2AKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104761494-B | A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin | 上海医药工业研究院 | 2018-01-19 | — | — | CN | claimed |
| US-4727147-A | INTERMEDIATES FOR MORPHINAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-02-23 | — | — | US | claimed |
| EP-0176856-A2 | Process for the preparation of optically active amines | MERCK PATENT GmbH (DE) | 1986-04-09 | — | — | EP | claimed |
| CN-104761494-B | A kind of preparation method of (S) or (R) 1 (4 methoxy-benzyl) 1,2,3,4,5,6,7,8 octahydro isoquinolin | 上海医药工业研究院 | 2018-01-19 | — | — | CN | disclosed |
| CN-104761494-A | Preparation method of (S) or (R)-1-(4-methoxy benzyl)-1,2,3,4,5,6,7,8-octahydro isoquinoline | SHANGHAI INST PHARM INDUSTRY | 2015-07-08 | — | — | CN | disclosed |
| US-4727147-A | INTERMEDIATES FOR MORPHINAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-02-23 | — | — | US | disclosed |
| EP-0176856-A2 | Process for the preparation of optically active amines | MERCK PATENT GmbH (DE) | 1986-04-09 | — | — | EP | disclosed |