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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.69 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.56 |
| ▸ | PAM | P19021 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL242242 | 0.98 | TACR1 (0.71) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL242241 | 0.98 | TACR1 (0.71) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL11759813 | 0.93 | TACR1 (0.64) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL11758374 | 0.93 | TACR1 (0.64) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL6438660 | 0.91 | TACR1 (0.62) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL5758342 | 0.91 | TACR1 (0.62) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL6438662 | 0.91 | TACR1 (0.62) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL12149993 | 0.88 | POLB (0.63) | TACR1TP53MMP8POLBATM | |
| SCHEMBL25669539 | 0.88 | TACR1 (0.58) | TACR1CTSSCTSKPAMTP53 | |
| SCHEMBL12889163 | 0.87 | TACR1 (0.64) | TACR1CTSSCTSKPAMPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1446812-A | Acid addition salts of optically active piperidine compounds and process for preparing the same | UBE INDUSTRIES (JP) | 2003-10-08 | — | — | CN | disclosed |
| CN-1098262-C | Acid addition salts of optically active piperidine compounds and process for preparing the same | UBE INDUSTRIES (JP) | 2003-01-08 | — | — | CN | disclosed |
| CN-1242013-A | Acid addition salts of optically active piperidine compounds and process for preparing the same | UBE INDUSTRIES (JP) | 2000-01-19 | — | — | CN | disclosed |