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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.63 |
| ▸ | METAP1 | P53582 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL2484416 | 0.92 | ACHE (0.73) | ACHEMETAP1HTR2AHTR2CHTR2B | |
| SCHEMBL10908324 | 0.79 | ACHE (0.51) | ACHE | |
| SCHEMBL14339926 | 0.79 | METAP1 (0.50) | ACHEMETAP1HTR2AHTR2CHTR2B | |
| SCHEMBL29893908 | 0.78 | ACHE (1.00) | ACHEMETAP1HTR2AHTR2CHTR2B | |
| SCHEMBL2481939 | 0.78 | ACHE (1.00) | ACHEMETAP1HTR2AHTR2CHTR2B | |
| SCHEMBL10905839 | 0.75 | BAZ2B (0.55) | ACHEHTR2CHTR2B | |
| SCHEMBL12433392 | 0.75 | ACHE (0.54) | ACHEMETAP1PARP10PARP11 | |
| SCHEMBL6972986 | 0.73 | METAP1 (0.54) | ACHEMETAP1HTR2AHTR2CHTR2B | |
| SCHEMBL1500072 | 0.73 | METAP1 (0.56) | ACHEMETAP1PARP10PARP11 | |
| SCHEMBL569403 | 0.73 | ACHE (0.74) | ACHEHTR2AHTR2CHTR2B |
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-107108445-A | Midbody compound for producing perfuming component | 弗门尼舍有限公司 | 2017-08-29 | — | — | CN | disclosed |