Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL9639131 | 0.87 | CA1 (0.33) | CA1CA2USP7ALDH1A1HPGD | |
| SCHEMBL6615965 | 0.81 | NPC1 (0.33) | HPGDHTR2A | |
| SCHEMBL3736107 | 0.74 | — | — | |
| SCHEMBL374979 | 0.71 | ALDH1A1 (0.33) | ALDH1A1MAPTHPGDHTR2A | |
| SCHEMBL1198917 | 0.69 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTHPGDHTT | |
| SCHEMBL15010759 | 0.69 | POLB (0.33) | ALDH1A1HPGDHTR2A | |
| SCHEMBL4838387 | 0.69 | HTR2A (0.36) | ALDH1A1HPGDHTR2A | |
| SCHEMBL2073990 | 0.69 | HTR2A (0.36) | ALDH1A1HPGDHTR2A | |
| SCHEMBL1375450 | 0.69 | NPC1 (0.35) | ALDH1A1HPGDHTR2A | |
| SCHEMBL553792 | 0.69 | NPC1 (0.35) | ALDH1A1HPGDHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506178-A4 | BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2006-05-24 | — | — | EP | disclosed |
| EP-1506178-A2 | BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION | Bristol-Myers Squibb Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003096980-A2 | BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-11-27 | — | — | WO | disclosed |