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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | MAOA | P21397 | 1/20 | 0.68 |
| ▸ | HTR3A | P46098 | 1/20 | 0.68 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | SCN1A | P35498 | 3/20 | 0.64 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.64 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL453815 | 0.97 | TSHR (0.71) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| Hydrochloric Acid SCHEMBL30061329 | 0.95 | BLM (0.72) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL10334843 | 0.86 | TSHR (0.58) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| Procaine SCHEMBL7639278 | 0.86 | CYP2D6 (0.91) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL502025 | 0.86 | TDP1 (0.68) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL28853482 | 0.85 | CYP2D6 (0.74) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| Nicametate SCHEMBL28346401 | 0.84 | L3MBTL1 (0.63) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL17361142 | 0.84 | TDP1 (0.67) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL12748125 | 0.83 | TSHR (0.58) | TSHRCYP2D6MAOAHTR3AHRH3 | |
| SCHEMBL11148968 | 0.83 | LMNA (0.65) | TSHRCYP2D6MAOAHTR3AHRH3 |
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-104706630-B | Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates | 于崇曦 | 2020-01-10 | — | — | CN | disclosed |