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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27551728 | 0.83 | KMT2A (0.50) | RAB9AALDH1A1SMN1; SMN2TSHRKMT2A | |
| SCHEMBL218118 | 0.78 | KMT2A (0.57) | RAB9AALDH1A1SMN1; SMN2TSHRKMT2A | |
| SCHEMBL13679138 | 0.77 | HTT (0.65) | RAB9AALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL10919107 | 0.76 | CYP2C9 (0.42) | ALDH1A1TSHRMAPTHTTHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL10418488 | 0.76 | KMT2A (0.55) | RAB9AALDH1A1SMN1; SMN2TSHRKMT2A | |
| SCHEMBL27690114 | 0.76 | MAPT (0.53) | RAB9AALDH1A1SMN1; SMN2TSHRKMT2A | |
| Formamide SCHEMBL29227819 | 0.75 | HTT (0.48) | RAB9AALDH1A1SMN1; SMN2TSHRKMT2A | |
| SCHEMBL9047084 | 0.74 | PTGS2 (0.55) | KEAP1 | |
| SCHEMBL7779928 | 0.74 | CA1 (0.56) | ADORA3ADORA2AADORA1CYP2C9 | |
| SCHEMBL2708392 | 0.74 | NPC1 (0.47) | RAB9ASMN1; SMN2KMT2AMEN1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-85103468-A | Prepare the method for new compound and new purposes thereof | — | 1986-09-10 | — | — | CN | disclosed |