Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | AADAC | P22760 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818871 | 0.92 | AR (0.59) | ARLMNAMAPK1CYP3A4CES2 | |
| SCHEMBL9819216 | 0.91 | AR (0.47) | ARLMNAMAPK1CYP3A4CES2 | |
| SCHEMBL9819414 | 0.87 | LMNA (0.45) | ARLMNAMAPK1CYP3A4CES2 | |
| SCHEMBL9818946 | 0.84 | ABCG2 (0.50) | LMNAMAPK1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL9818865 | 0.84 | ABCG2 (0.50) | LMNAMAPK1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL9819190 | 0.83 | AR (0.58) | ARLMNAMAPK1CYP3A4CES2 | |
| SCHEMBL9819070 | 0.82 | KCNMA1 (0.50) | LMNAMAPK1ALDH1A1GLAHTT | |
| SCHEMBL9818928 | 0.82 | EPHX2 (0.50) | CES2RAPGEF3NPC1RAB9AIDO1 | |
| SCHEMBL9818907 | 0.79 | MAOB (0.47) | LMNASMN1; SMN2RAPGEF3NPC1RAB9A | |
| SCHEMBL9819042 | 0.79 | MAOB (0.47) | LMNASMN1; SMN2RAPGEF3NPC1RAB9A |
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-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |