Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4106691 | 0.82 | AR (0.61) | AR | |
| SCHEMBL4091463 | 0.80 | AR (0.63) | AR | |
| SCHEMBL2490932 | 0.79 | CDC42BPB (0.42) | — | |
| SCHEMBL31388194 | 0.77 | AR (0.62) | ARALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL7528396 | 0.77 | AR (0.62) | ARALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL7524105 | 0.77 | AR (0.62) | ARALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL1660394 | 0.77 | AR (0.62) | ARALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL2490935 | 0.76 | KDM4E (0.43) | ALDH1A1MAPTDRD4KDM4EDRD2 | |
| SCHEMBL4105747 | 0.75 | AR (0.60) | AR | |
| SCHEMBL829177 | 0.75 | AR (0.65) | ARALDH1A1POLBMAPTSMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012003418-A2 | FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-01-05 | — | — | WO | claimed |
| WO-2003101994-A1 | FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION | ABBOTT LABORATORIES (US) | 2003-12-11 | — | — | WO | claimed |
| EP-2872514-A1 | IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014011974-A1 | IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-01-16 | — | — | WO | disclosed |
| WO-2003101994-A1 | FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION | ABBOTT LABORATORIES (US) | 2003-12-11 | — | — | WO | disclosed |