Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 4/20 | 0.50 |
| ▸ | CCR3 | P51677 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 5/20 | 0.49 |
| ▸ | DRD4 | P21917 | 4/20 | 0.49 |
| ▸ | CACNA1G | O43497 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7567332 | 1.00 | HRH1 (0.50) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL7567340 | 1.00 | HRH1 (0.50) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL5360231 | 0.86 | DRD2 (0.52) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL5367345 | 0.86 | DRD2 (0.52) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL5360233 | 0.86 | DRD2 (0.52) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL7497905 | 0.83 | HTR2A (0.51) | DRD2USP2HTR2AHTR1ATSHR | |
| SCHEMBL7500542 | 0.83 | HTR2A (0.51) | DRD2USP2HTR2AHTR1ATSHR | |
| SCHEMBL5360652 | 0.81 | DRD2 (0.48) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL5360657 | 0.81 | DRD2 (0.48) | HRH1CCR3DRD2DRD4CACNA1G | |
| SCHEMBL7496035 | 0.80 | HTR2A (0.69) | HRH1DRD2DRD3HTR2AHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| JP-4806149-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1216244-A1 | Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | claimed |
| WO-2001019821-A1 | BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-03-22 | — | — | WO | claimed |