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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7320175 | 0.79 | NPC1 (0.52) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL7320187 | 0.79 | NPC1 (0.52) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL967112 | 0.78 | NPC1 (0.66) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL18182126 | 0.78 | NPC1 (0.56) | NPC1RAB9ACA12CA9KMT2A | |
| Hydrochloric Acid SCHEMBL9555744 | 0.77 | NPC1 (0.50) | NPC1RAB9ACA12CA9KMT2A | |
| Hydrochloric Acid SCHEMBL9555748 | 0.77 | NPC1 (0.50) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL11670361 | 0.77 | NPC1 (0.53) | NPC1RAB9ACA12CA9KMT2A | |
| Hydrochloric Acid SCHEMBL27945133 | 0.77 | NPC1 (0.63) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL11350721 | 0.77 | NPC1 (0.53) | NPC1RAB9ACA12CA9KMT2A | |
| SCHEMBL425164 | 0.76 | NPC1 (0.68) | NPC1RAB9ACA12CA9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108603148-A | The dress material powder detergent composition that fragrance component is stablized | 长谷川香料株式会社 | 2018-09-28 | — | — | CN | disclosed |
| CN-107690330-A | The fragrance release composition that persistence continues | 莫门蒂夫性能材料股份有限公司 | 2018-02-13 | — | — | CN | disclosed |