Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.46 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL19403774 | 0.89 | CCR3 (0.52) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL20673545 | 0.77 | L3MBTL1 (0.52) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL19403856 | 0.77 | L3MBTL1 (0.52) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL118650 | 0.74 | SLC6A4 (0.43) | L3MBTL1EPHX2HRH3POLBSLC6A4 | |
| SCHEMBL19403746 | 0.72 | L3MBTL1 (0.48) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL26330641 | 0.72 | L3MBTL1 (0.48) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL26330833 | 0.72 | L3MBTL1 (0.48) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL19403773 | 0.72 | MC4R (0.50) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL26330782 | 0.72 | MC4R (0.50) | L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B | |
| SCHEMBL12883261 | 0.71 | CTSS (0.58) | CTSS |
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-2017165822-A1 | SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-09-28 | — | — | WO | disclosed |