Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | CES2 | O00748 | 1/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | GLA | P06280 | 1/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.77 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.77 |
| ▸ | AADAC | P22760 | 1/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.77 |
| ▸ | HTT | P42858 | 1/20 | 0.77 |
| ▸ | HTR6 | P50406 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL10437874 | 0.90 | AR (0.77) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL17457683 | 0.89 | AR (0.76) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL11510610 | 0.89 | AR (0.75) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL11313476 | 0.89 | AR (0.75) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL11511088 | 0.88 | AR (0.74) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| Flutamide SCHEMBL1461845 | 0.87 | AR (1.00) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| Flutamide SCHEMBL3934 | 0.87 | AR (1.00) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| Flutamide SCHEMBL29349783 | 0.87 | AR (1.00) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL17457686 | 0.86 | AR (0.71) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL17457688 | 0.86 | AR (0.71) | ARCYP3A4CES2ABCB11ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4161540-A | SUBSTITUTED ANILIDE | SCHERING CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |
| US-4144270-A | NITRO OR HALOGEN SUBSTITUTED CARBOCYCLIC AMIDES | SCHERING CORPORATION (US) | 1979-03-13 | — | — | US | disclosed |
| US-4139638-A | NITRO OR HALOGEN SUBSTITUTED ANILIDES, ANTIANDROGENS, ACNE, CANCER | SCHERING CORPORATION (US) | 1979-02-13 | — | — | US | disclosed |
| US-3995060-A | SUBSTITUTED ANILIDES | SCHERING CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |