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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3893896 | 0.92 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL2542355 | 0.86 | — | — | |
| Potassium Ion SCHEMBL1615163 | 0.86 | — | — | |
| SCHEMBL1919362 | 0.86 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL18886592 | 0.86 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Silver SCHEMBL4423921 | 0.86 | — | — | |
| Zinc Ion SCHEMBL7041882 | 0.86 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL11668358 | 0.86 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL11779420 | 0.86 | CA4 (0.37) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL2543416 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002080418-A | METHOD FOR PRODUCING DEHYDROGENATED COMPOUND BY HYDROGEN TRANSFER REACTION IN PALLADIUM CATALYST-SINCE OLEFIN SYSTEM | YAMAGUCHI TECHNOLOGY LICENSING ORGANIZATION LTD | 2002-03-19 | — | — | JP | disclosed |