Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | AADAC | P22760 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9819219 | 0.91 | AR (0.48) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL9818871 | 0.83 | AR (0.59) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL9819190 | 0.82 | AR (0.58) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL9819035 | 0.78 | MLYCD (0.52) | MLYCDTRPV1KIF11 | |
| SCHEMBL9819032 | 0.78 | MLYCD (0.52) | MLYCDTRPV1KIF11 | |
| SCHEMBL9819414 | 0.78 | LMNA (0.45) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL9819214 | 0.78 | GSK3B (0.51) | ALDH1A1LMNATSHRMAPK1HTT | |
| SCHEMBL9819097 | 0.76 | P2RX1 (0.50) | CYP3A4ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL9818865 | 0.75 | ABCG2 (0.50) | ALDH1A1LMNAMAPK1HTTSMN1; SMN2 | |
| SCHEMBL9818946 | 0.75 | ABCG2 (0.50) | ALDH1A1LMNAMAPK1HTTSMN1; SMN2 |
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 |