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 | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.49 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7492637 | 0.96 | METAP1 (0.52) | METAP1BRD9BRD4TDP2CNR2 | |
| Acetic Acid SCHEMBL28000447 | 0.81 | RAB9A (0.53) | POLBMEN1NPC1GAARAB9A | |
| SCHEMBL2880191 | 0.78 | LMNA (0.54) | METAP1BRD9BRD4CNR2LMNA | |
| SCHEMBL30937705 | 0.77 | METAP1 (0.64) | METAP1BRD9BRD4TDP2LMNA | |
| SCHEMBL13211408 | 0.77 | METAP1 (0.64) | METAP1BRD9BRD4TDP2LMNA | |
| SCHEMBL31047027 | 0.77 | METAP1 (0.64) | METAP1BRD9BRD4TDP2LMNA | |
| SCHEMBL6868944 | 0.77 | METAP1 (0.56) | METAP1BRD9TDP2LMNAPOLB | |
| SCHEMBL15266282 | 0.77 | METAP1 (0.56) | METAP1BRD9TDP2LMNAPOLB | |
| SCHEMBL3243855 | 0.77 | METAP1 (0.56) | METAP1BRD9BRD4TDP2P2RX7 | |
| SCHEMBL30668778 | 0.77 | METAP1 (0.56) | METAP1BRD9BRD4TDP2P2RX7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729472-A4 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0729472-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-09-04 | — | — | EP | disclosed |