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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.43 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.49 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.49 |
| ▸ | GPR183 | P32249 | 1/20 | 0.49 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.49 |
| ▸ | FDPS | P14324 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 SCHEMBL8679144 | 0.91 | TNNC1 (0.44) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL1132686 | 0.91 | TNNC1 (0.55) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| Acetic Acid SCHEMBL2204888 | 0.89 | GPR84 (0.50) | FDPSSMPD1PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL8065006 | 0.89 | GPR84 (0.50) | FDPSSMPD1PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL29060600 | 0.89 | GPR84 (0.50) | FDPSSMPD1PPARGPPARDPPARA | |
| SCHEMBL6256417 | 0.89 | TNNC1 (0.58) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL1170609 | 0.89 | TNNC1 (0.58) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL1170886 | 0.89 | TNNC1 (0.58) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL1117584 | 0.89 | TNNC1 (0.58) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL1117911 | 0.89 | TNNC1 (0.58) | TNNC1S1PR1SGPL1S1PR4GPR183 |
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 |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |