Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14033830 | 0.83 | NPC1 (0.46) | CYP2D6CNR1CNR2CYP1A2MEN1 | |
| SCHEMBL22229535 | 0.81 | MGAM (0.42) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL22229487 | 0.80 | CHEK2 (0.41) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL372349 | 0.78 | CYP1A2 (0.52) | CHEK2CYP1A2HPGDRAB9AMGAM | |
| SCHEMBL22229537 | 0.77 | TRPM8 (0.41) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL22229492 | 0.77 | EGFR (0.39) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL22229517 | 0.77 | NQO1 (0.39) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL14033733 | 0.76 | UGT2B7 (0.55) | CHEK2CYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL7245487 | 0.76 | CYP1A2 (0.43) | CHEK2CYP1A2HPGDRAB9AMGAM | |
| SCHEMBL18812958 | 0.76 | CHEK2 (0.42) | CHEK2CYP1A2NPC1RAB9AMGAM |
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-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |