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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | NPC1 | O15118 | 5/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.56 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL8909263 | 0.88 | SMN1; SMN2 (0.53) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL8820811 | 0.79 | SMN1; SMN2 (0.76) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28187512 | 0.78 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL7959792 | 0.77 | MAPT (0.50) | SMN1; SMN2MEN1KMT2AKDM4EMAPK1 | |
| SCHEMBL5946149 | 0.77 | MEN1 (0.52) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL8358105 | 0.76 | TP53 (0.83) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL29826604 | 0.76 | TP53 (0.83) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL19476084 | 0.75 | NPC1 (0.69) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL822131 | 0.75 | NPC1 (0.67) | RAB9ANPC1SMN1; SMN2HTTMEN1 | |
| SCHEMBL18415560 | 0.75 | MAPT (0.51) | SMN1; SMN2MEN1KMT2AKDM4EMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693657-A | USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1997-12-02 | — | — | US | disclosed |