Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.57 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29204486 | 0.84 | DRD2 (0.45) | KDRCXCR4DRD2DRD4DRD3 | |
| SCHEMBL10375716 | 0.83 | MEN1 (0.55) | DRD2DRD4DRD3 | |
| SCHEMBL6057472 | 0.82 | CXCR4 (0.57) | KDRTGFBR1CXCR4CYP2D6CYP2C9 | |
| SCHEMBL10373762 | 0.81 | OPRL1 (0.62) | DRD2DRD4DRD3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7958693 | 0.81 | CCR3 (0.61) | DRD2DRD4DRD3ALDH1A1SMN1; SMN2 | |
| SCHEMBL10374922 | 0.80 | DRD4 (0.54) | DRD2DRD4DRD3TSHRALDH1A1 | |
| SCHEMBL10374834 | 0.79 | HTR2A (0.53) | DRD2DRD4DRD3CYP2C9ALDH1A1 | |
| SCHEMBL7161609 | 0.79 | HCRTR1 (0.51) | DRD2DRD4DRD3CYP2C9ALDH1A1 | |
| SCHEMBL10373580 | 0.78 | MEN1 (0.62) | DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL10374924 | 0.78 | DRD2 (0.47) | DRD2DRD4DRD3HTR1AHCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1902025-A1 | KINASE INHIBITORS | Allergan, Inc. (US) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007008895-A1 | KINASE INHIBITORS | ALLERGAN, INC. (US) | 2007-01-18 | — | — | WO | disclosed |