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 | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 2/20 | 0.45 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4272954 | 0.97 | CPN1 (0.47) | CPN1CPB2CTSSCTSKITGB3 | |
| SCHEMBL13861589 | 0.83 | CPN1 (0.41) | CPN1CPB2CTSSCTSKSLC6A1 | |
| SCHEMBL6630066 | 0.80 | CPN1 (0.41) | CPN1CPB2CTSSCTSKSLC6A1 | |
| SCHEMBL4279017 | 0.80 | CPN1 (0.52) | CPN1CPB2CTSSCTSKSLC6A1 | |
| SCHEMBL486372 | 0.79 | CPN1 (0.41) | CPN1CPB2CTSSCTSKSLC6A1 | |
| SCHEMBL28755275 | 0.78 | CPN1 (0.38) | CPN1CPB2CTSSCTSKALOX15 | |
| Acetic Acid SCHEMBL27622126 | 0.78 | CTSS (0.55) | CPN1CPB2CTSSCTSKITGB3 | |
| Acetic Acid SCHEMBL3162997 | 0.78 | CTSS (0.55) | CPN1CPB2CTSSCTSKITGB3 | |
| Acetic Acid SCHEMBL21994473 | 0.77 | CPN1 (0.45) | CPN1CPB2SLC6A1GABRA5GABRB2 | |
| SCHEMBL7688318 | 0.77 | CPN1 (0.63) | CPN1CPB2ITGB3ITGA2BSLC6A1 |
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-1990468-A | Pyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1990469-A | Pyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1723196-A | Fluoropyrrolidines as dipeptidyl peptidase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2006-01-18 | — | — | CN | disclosed |