Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111930 | 0.85 | CYP17A1 (0.39) | CYP17A1CYP19A1KDM4E | |
| SCHEMBL27677508 | 0.81 | CYP17A1 (0.41) | CYP17A1CYP19A1 | |
| SCHEMBL29279283 | 0.81 | CYP19A1 (0.35) | CYP17A1CYP19A1KDM4EALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL28775270 | 0.79 | CYP17A1 (0.40) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28038388 | 0.79 | CYP17A1 (0.40) | CYP17A1CYP19A1CYP3A4MEN1NR1I2 | |
| Hydrochloric Acid SCHEMBL27614865 | 0.79 | CYP17A1 (0.40) | CYP17A1CYP19A1CYP3A4MEN1NR1I2 | |
| Bromide SCHEMBL27754534 | 0.79 | CYP17A1 (0.40) | CYP17A1CYP19A1 | |
| SCHEMBL27727132 | 0.78 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| SCHEMBL28270201 | 0.78 | CYP17A1 (0.39) | CYP17A1CYP19A1 | |
| Water SCHEMBL28525525 | 0.77 | CYP17A1 (0.38) | CYP17A1CYP19A1 |
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-4093570-A | CROSSLINKABLE, MIXED ORGANIC MEDIUM; | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-06-06 | — | — | US | disclosed |