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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.78 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TSPO | P30536 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007452 | 0.88 | CYP19A1 (1.00) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| SCHEMBL151053 | 0.88 | CYP19A1 (1.00) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| SCHEMBL9398256 | 0.86 | CYP19A1 (0.95) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| Bromide SCHEMBL28888744 | 0.86 | CYP19A1 (0.95) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| Ammonia Solution, Strong SCHEMBL29210102 | 0.86 | CYP19A1 (0.95) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| SCHEMBL8388868 | 0.85 | CYP19A1 (0.60) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 | |
| SCHEMBL28389333 | 0.85 | ALDH1A1 (0.67) | CYP19A1P2RX4HDAC6HDAC1HDAC10 | |
| SCHEMBL12938808 | 0.84 | HDAC6 (0.68) | CYP19A1P2RX4HDAC6HDAC1HDAC10 | |
| SCHEMBL12938931 | 0.84 | HDAC6 (0.68) | CYP19A1P2RX4MAPK1HDAC6HDAC1 | |
| SCHEMBL17112767 | 0.83 | CYP19A1 (0.81) | CYP19A1P2RX4SMN1; SMN2MAPK1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0282077-B1 | Pyridyloxy derivatives | FUJIREBIO KK (JP) | 1993-11-10 | — | — | EP | disclosed |
| EP-0239306-B1 | TETRAHYDROCARBAZOLE ESTERS | MERCK FROSST CANADA INC. (CA) | 1993-06-02 | — | — | EP | disclosed |
| EP-0234708-B1 | TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS | MERCK FROSST CANADA INC. (CA) | 1991-02-27 | — | — | EP | disclosed |
| US-4977267-A | ANTISECRETORY AGENT | FUJIREBIO KABUSHIKI KAISHA (JP) | 1990-12-11 | — | — | US | disclosed |
| US-4940719-A | Tetrahydrocarbazole esters, pharmaceutical compositions and use | MERCK FROSST CANADA, INC. (CA) | 1990-07-10 | — | — | US | disclosed |
| US-4912101-A | Containing a secondary amide, suflur group and a furan ring | FUJIREBIO KABUSHIKI KAISHA (JP) | 1990-03-27 | — | — | US | disclosed |
| EP-0310179-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1989-04-05 | — | — | EP | disclosed |
| US-4808608-A | ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT | MERCK & CO., INC. (US) | 1989-02-28 | — | — | US | disclosed |
| EP-0300676-A2 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1989-01-25 | — | — | EP | disclosed |
| EP-0239306-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1987-09-30 | — | — | EP | disclosed |
| EP-0234708-A1 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1987-09-02 | — | — | EP | disclosed |