Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.44 |
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703988 | 0.87 | BDKRB2 (0.45) | CYP19A1CYP11B1CYP11B2HMOX1CYP1A2 | |
| SCHEMBL27999214 | 0.79 | CYP19A1 (0.50) | CYP19A1CYP11B1CYP11B2TBXAS1PDE5A | |
| SCHEMBL1886266 | 0.79 | CYP19A1 (0.67) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL31149024 | 0.79 | CYP19A1 (0.67) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL1882925 | 0.78 | IDO1 (0.51) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL16018989 | 0.75 | ABCB1 (0.68) | NPC1RAB9AABCB1HTR1AADRA1D | |
| SCHEMBL11535196 | 0.74 | CYP19A1 (0.54) | CYP19A1CYP11B1CYP11B2ABCB1CYP1A2 | |
| SCHEMBL8587859 | 0.74 | CYP3A4 (0.48) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL11409565 | 0.74 | RAB9A (0.54) | CYP19A1CYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL16393894 | 0.74 | BRD4 (0.41) | CYP19A1CYP11B1CYP11B2HMOX1CYP1A2 |
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 |