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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 11/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3169644 | 1.00 | HCAR2 (0.50) | HCAR2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL634425 | 0.93 | HCAR2 (0.50) | HCAR2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL169562 | 0.93 | HCAR2 (0.50) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Maleic Acid SCHEMBL28963566 | 0.93 | HCAR2 (0.50) | HCAR2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL169561 | 0.93 | HCAR2 (0.50) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Acetic Acid SCHEMBL28143335 | 0.93 | HCAR2 (0.39) | HCAR2TSHRALDH1A1TDP1KDM4E | |
| SCHEMBL1598608 | 0.91 | HCAR2 (0.46) | HCAR2TSHRTP53EGLN1EGLN3 | |
| SCHEMBL1598603 | 0.91 | HCAR2 (0.46) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Vinyl Chloride SCHEMBL9615456 | 0.86 | HCAR2 (0.44) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Vinyl Ether SCHEMBL8967458 | 0.86 | HCAR2 (0.44) | HCAR2TSHRTP53EGLN1EGLN3 |
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-117616107-A | Fuel oil compositions, methods and uses related thereto | 因诺斯佩克有限公司 | 2024-02-27 | — | — | CN | disclosed |