Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9945351 | 0.86 | CYP17A1 (0.46) | CYP17A1CYP2C9CYP2C19CYP19A1NOTUM | |
| SCHEMBL9895460 | 0.83 | CYP2C9 (0.50) | CYP17A1CYP2C9CYP2C19NOTUMLMNA | |
| SCHEMBL9896985 | 0.82 | CYP17A1 (0.53) | CYP17A1CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9895663 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP2C9CYP2C19CYP19A1NOTUM | |
| SCHEMBL9895228 | 0.81 | CYP19A1 (0.55) | CYP17A1CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9896161 | 0.80 | CYP17A1 (0.67) | CYP17A1CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9894973 | 0.80 | CYP17A1 (0.50) | CYP17A1CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9965128 | 0.80 | KDM4E (0.42) | CYP19A1ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9945352 | 0.79 | CYP2C19 (0.49) | CYP17A1CYP2C9CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL9895951 | 0.79 | CYP17A1 (0.53) | CYP17A1CYP2C9CYP2C19CYP19A1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012082746-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |