Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11702288 | 0.91 | CYP19A1 (0.40) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11702953 | 0.91 | CYP17A1 (0.42) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11701849 | 0.90 | CYP17A1 (0.45) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11703364 | 0.89 | SLC6A4 (0.48) | CYP17A1CYP3A4CYP19A1NR1I2NR3C1 | |
| SCHEMBL11703636 | 0.85 | CYP17A1 (0.40) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11703823 | 0.84 | CYP17A1 (0.47) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11707276 | 0.83 | CYP19A1 (0.45) | CYP17A1MAPTCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL11703544 | 0.81 | NPC1 (0.46) | CYP17A1NPC1RAB9AMAPTCYP3A4 | |
| SCHEMBL11703004 | 0.79 | CYP19A1 (0.48) | CYP17A1CYP19A1NR1I2NR3C1HTR1A | |
| SCHEMBL11706083 | 0.79 | CYP19A1 (0.48) | CYP17A1CYP19A1NR1I2NR3C1HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4006243-A | FUNGICIDE, BACTERICIDE, YEAST | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | claimed |
| US-4006243-A | FUNGICIDE, BACTERICIDE, YEAST | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |