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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26606263 | 0.93 | TDP1 (0.54) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL112994 | 0.93 | TDP1 (0.54) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27498397 | 0.93 | TDP1 (0.54) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5186560 | 0.91 | TSHR (0.50) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL28008217 | 0.91 | TDP1 (0.52) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4326092 | 0.83 | TRPA1 (0.45) | TSHRTRPA1TDP1 | |
| SCHEMBL4785593 | 0.82 | TSHR (0.52) | TSHRKDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| Citronellol SCHEMBL17580723 | 0.82 | ALOX15 (0.64) | TSHRKDM4ECYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28513806 | 0.81 | TDP1 (0.50) | CYP2C9CYP2C19SMN1; SMN2KMT2AHPGD | |
| Acetic Acid SCHEMBL28205789 | 0.81 | TSHR (0.58) | TSHRCYP2C9CYP2C19SMN1; SMN2KMT2A |
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-113167695-A | Device for collecting volatile organic compounds | 法国由内政部代表 | 2021-07-23 | — | — | CN | disclosed |