Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 15/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26330782 | 1.00 | MC4R (0.50) | MC4RL3MBTL1ALDH1A1TSHRCACNA1A | |
| SCHEMBL19403746 | 0.88 | L3MBTL1 (0.48) | MC4RL3MBTL1CACNA1ACACNA2D1CACNA1B | |
| SCHEMBL26330641 | 0.88 | L3MBTL1 (0.48) | MC4RL3MBTL1TSHRCACNA1ACACNA2D1 | |
| SCHEMBL26330833 | 0.88 | L3MBTL1 (0.48) | MC4RL3MBTL1CACNA1ACACNA2D1CACNA1B | |
| SCHEMBL23549955 | 0.84 | USP2 (0.55) | MC4RL3MBTL1ALDH1A1 | |
| SCHEMBL19403828 | 0.84 | USP2 (0.55) | MC4RL3MBTL1ALDH1A1 | |
| SCHEMBL20673507 | 0.84 | MC4R (0.49) | MC4RL3MBTL1 | |
| SCHEMBL19403753 | 0.83 | MC4R (0.45) | MC4RL3MBTL1TSHR | |
| SCHEMBL20673523 | 0.81 | MC4R (0.43) | MC4RL3MBTL1TSHR | |
| SCHEMBL3718118 | 0.77 | ADRA1B (0.48) | MC4RALDH1A1TSHR |
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 |