Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP5 | P51878 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL13627491 | 0.90 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1DRD2DRD4DRD3 | |
| SCHEMBL13627483 | 0.86 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL13627494 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1KDM4EALDH1A1COMT | |
| SCHEMBL13627498 | 0.82 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL13627486 | 0.82 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1DRD2DRD4DRD3 | |
| SCHEMBL13627503 | 0.81 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1 | |
| SCHEMBL13627500 | 0.81 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1DRD2KDM4EALDH1A1 | |
| SCHEMBL13627488 | 0.81 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1DRD2DRD4DRD3 | |
| SCHEMBL13627509 | 0.81 | DRD2 (0.52) | HSP90AA1HSP90AB1DRD2DRD4DRD3 | |
| SCHEMBL13627495 | 0.81 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1DRD2 |
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-7612201-B2 | Pyrazole compounds | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2009-11-03 | — | — | US | disclosed |
| US-7612201-B2 | Pyrazole compounds | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2009-11-03 | — | — | US | disclosed |