Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL14033813 | 1.00 | TRPV1 (0.39) | TRPV1S1PR3S1PR4THRBABL1 | |
| SCHEMBL14033202 | 0.81 | TRPV1 (0.39) | TRPV1S1PR3S1PR4THRBMAOB | |
| SCHEMBL14033200 | 0.81 | NPC1 (0.36) | S1PR3S1PR4ABL1PDE2A | |
| SCHEMBL14034090 | 0.81 | NPC1 (0.36) | S1PR3S1PR4ABL1PDE2A | |
| SCHEMBL14033306 | 0.80 | S1PR3 (0.43) | S1PR3S1PR4S1PR1S1PR2 | |
| SCHEMBL14033593 | 0.80 | S1PR3 (0.43) | S1PR3S1PR4S1PR1S1PR2 | |
| SCHEMBL14033932 | 0.78 | S1PR3 (0.51) | S1PR3S1PR4S1PR2 | |
| SCHEMBL14033749 | 0.78 | S1PR3 (0.51) | S1PR3S1PR4S1PR2 | |
| SCHEMBL6075652 | 0.73 | CES2 (0.45) | CYP19A1AHRCES2CES1PDE2A | |
| SCHEMBL4602819 | 0.72 | S1PR3 (0.43) | S1PR3S1PR4S1PR1S1PR2 |
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 |