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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 SCHEMBL27678300 | 0.87 | TDP1 (0.88) | TDP1HSD17B10FFAR3LCKFYN | |
| Methacrylic Acid SCHEMBL2363226 | 0.87 | TDP1 (0.58) | TDP1HSD17B10FFAR3LCKFYN | |
| SCHEMBL27437745 | 0.84 | TDP1 (0.60) | TDP1HSD17B10ALDH1A1TSHR | |
| SCHEMBL29972 | 0.84 | — | — | |
| Acetic Acid SCHEMBL5680452 | 0.84 | TDP1 (0.82) | TDP1HSD17B10FFAR3LCKFYN | |
| SCHEMBL381342 | 0.83 | — | — | |
| Fumaric Acid SCHEMBL3701419 | 0.82 | HSD17B10 (0.52) | TDP1HSD17B10ALDH1A1TSHRLMNA | |
| Maleic Acid SCHEMBL251369 | 0.82 | HSD17B10 (0.52) | TDP1HSD17B10ALDH1A1TSHRLMNA | |
| Ethane SCHEMBL3288242 | 0.81 | — | — | |
| Methyl Alcohol SCHEMBL11644599 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5710150-A | ARGININE VASOPRESSIN ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-01-20 | — | — | US | disclosed |
| EP-0716083-A1 | BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |