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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MOK | Q9UQ07 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.34 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
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 SCHEMBL7142201 | 0.85 | BRD4 (0.43) | KMT2AMOKALDH1A1KDM4EHPGD | |
| Acetic Acid SCHEMBL8548884 | 0.80 | JAK2 (0.39) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| Hexanoate SCHEMBL8547899 | 0.78 | GBA1 (0.36) | MEN1KMT2AMOKALDH1A1KDM4E | |
| Hexanoate SCHEMBL8548589 | 0.77 | ACHE (0.33) | MOKALDH1A1KDM4EHPGDHSD17B10 | |
| Hexanoate SCHEMBL8550591 | 0.74 | CNR2 (0.39) | KMT2AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8550195 | 0.66 | MEN1 (0.44) | MEN1KMT2AALDH1A1KDM4EUSP2 | |
| SCHEMBL8553359 | 0.66 | HIF1A (0.42) | MEN1KMT2AALDH1A1USP2PKM | |
| Benzoic Acid SCHEMBL8549272 | 0.66 | NPC1 (0.35) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| Acetic Acid SCHEMBL8192311 | 0.65 | HTR1F (0.42) | KMT2AALDH1A1KDM4EHPGDTP53 | |
| Hexanoate SCHEMBL8551431 | 0.65 | KDM4E (0.40) | MEN1KMT2AALDH1A1KDM4EPKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792763-A | MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1998015545-A1 | NEW SEROTONIN 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1998-04-16 | — | — | WO | disclosed |
| EP-0835869-A2 | New serotonin 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |