Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 5/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | CACNB4 | O00305 | 4/20 | 0.38 |
| ▸ | CACNA1A | O00555 | 4/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 4/20 | 0.38 |
| ▸ | CACNG3 | O60359 | 4/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.38 |
| ▸ | CACNB3 | P54284 | 4/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.38 |
| ▸ | CACNG7 | P62955 | 4/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14545592 | 0.93 | CNR1 (0.43) | PIK3CDPIK3CAPIK3CGPIK3CBCNR1 | |
| SCHEMBL4691844 | 0.91 | CNR1 (0.43) | PIK3CDPIK3CAPIK3CGPIK3CBCNR1 | |
| SCHEMBL14545603 | 0.81 | MET (0.43) | CNR1 | |
| SCHEMBL5516419 | 0.80 | MAPT (0.40) | PIK3CDPIK3CAPIK3CGPIK3CBCNR1 | |
| SCHEMBL7105199 | 0.80 | MMP1 (0.47) | EGFRHMOX1SPR | |
| SCHEMBL7107806 | 0.80 | MMP1 (0.47) | EGFRHMOX1SPR | |
| SCHEMBL14545327 | 0.78 | MCHR1 (0.46) | KCNH2MCHR1 | |
| SCHEMBL4694942 | 0.78 | CACNB4 (0.53) | PIK3CDCKS1BSKP1SKP2CACNB4 | |
| SCHEMBL14545566 | 0.77 | ESR1 (0.43) | PIK3CDPIK3CAPIK3CGPIK3CBCNR1 | |
| SCHEMBL14545335 | 0.76 | ACHE (0.49) | KCNH2 |
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-1871762-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006113704-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |