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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL256723 | 0.91 | MAPT (0.45) | TDP1TSHRL3MBTL1GPR35MAPT | |
| SCHEMBL7604948 | 0.81 | MAPT (0.47) | TDP1TSHRL3MBTL1GPR35MAPT | |
| SCHEMBL2062373 | 0.77 | BAZ2B (0.44) | MAPTALDH1A1 | |
| Quinoline SCHEMBL28062786 | 0.76 | POLB (0.49) | TDP1L3MBTL1MAPTALDH1A1POLB | |
| SCHEMBL2061513 | 0.74 | PNMT (0.50) | TDP1TSHRL3MBTL1GPR35MAPT | |
| SCHEMBL8824052 | 0.72 | TDP1 (0.44) | TDP1TSHRL3MBTL1MAPTALDH1A1 | |
| SCHEMBL24348808 | 0.71 | CRBN (0.45) | ALDH1A1 | |
| Acetic Acid SCHEMBL27721273 | 0.71 | HSD17B10 (0.58) | TDP1TSHRL3MBTL1GPR35MAPT | |
| SCHEMBL7581608 | 0.71 | PARP1 (0.57) | TDP1MAPTPOLB | |
| Acetic Acid SCHEMBL28007453 | 0.71 | SIRT2 (0.52) | L3MBTL1MAPTALDH1A1PNMT |
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-109761874-A | Preparation process of medical intermediate 4-nitroindole | 代可昕 | 2019-05-17 | — | — | CN | claimed |