Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ACP3 | P15309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14033237 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL14033392 | 0.84 | TOP2A (0.38) | ADORA2ACYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL8400149 | 0.76 | IDO1 (0.32) | ADORA2A | |
| SCHEMBL9962275 | 0.70 | GABRA1 (0.38) | ADORA2ACYP1A2 | |
| SCHEMBL6075652 | 0.68 | CES2 (0.45) | ACP3 | |
| SCHEMBL23232390 | 0.67 | CYP1A2 (0.38) | ADORA2ACYP1A2 | |
| SCHEMBL9179471 | 0.67 | MPO (0.33) | ADORA2A | |
| SCHEMBL8951956 | 0.67 | IDO1 (0.32) | — | |
| SCHEMBL14033246 | 0.67 | MEN1 (0.37) | ADORA2ACYP2C9SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3697431 | 0.66 | ALDH1A1 (0.40) | ADORA2ACYP1A2 |
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 |