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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.94 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARD | Q03181 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7428417 | 0.97 | ACHE (1.00) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL7427390 | 0.97 | ACHE (1.00) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL18857450 | 0.86 | ACHE (0.79) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL4092902 | 0.85 | ACHE (0.78) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL10042341 | 0.85 | ACHE (0.78) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL7611352 | 0.85 | ACHE (0.78) | ACHEBLMLMNANR1I2PTGS1 | |
| SCHEMBL5283320 | 0.83 | ACHE (0.74) | ACHEBLMLMNAPPARGPPARD | |
| SCHEMBL22478560 | 0.80 | ACHE (0.69) | ACHEBLMPPARGPPARDPPARA | |
| SCHEMBL11437730 | 0.79 | ACHE (0.69) | ACHELMNAPPARGPPARDPPARA | |
| SCHEMBL8354271 | 0.79 | ACHE (0.69) | ACHEBLMTDP1PPARGPPARD |
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-4562263-A | HYPOTENSIVE AND HYDERTENSIVE AGENTS, ANTIDEPRESSANTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-12-31 | — | — | US | disclosed |
| EP-0128684-A1 | Process for producing 3-(3,4-dihydroxyphenyl) serine | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1984-12-19 | — | — | EP | disclosed |