Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 12/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6501884 | 0.82 | RORC (0.46) | SCN9ACNR2CNR1DYRK1ANOTUM | |
| SCHEMBL29564467 | 0.76 | GRM5 (0.47) | CNR2CNR1DYRK1AIDO1GRM5 | |
| SCHEMBL21380856 | 0.76 | GRM5 (0.47) | CNR2CNR1DYRK1AIDO1GRM5 | |
| SCHEMBL6531978 | 0.74 | CNR2 (0.54) | CNR2CNR1IDO1 | |
| SCHEMBL3772831 | 0.74 | P2RX7 (0.47) | CNR2CNR1NOTUMIDO1P2RX7 | |
| SCHEMBL8308105 | 0.70 | CNR2 (0.50) | SCN9ACNR2CNR1NOTUMIDO1 | |
| SCHEMBL4445051 | 0.70 | TDO2 (0.44) | SCN9ACNR2NOTUM | |
| SCHEMBL4452887 | 0.70 | AHR (0.69) | CNR2CNR1 | |
| SCHEMBL528505 | 0.69 | CNR2 (0.45) | SCN9ACNR2CNR1NOTUMIDO1 | |
| SCHEMBL6506177 | 0.69 | CYP11B2 (0.43) | CNR2CNR1NOTUMIDO1P2RX7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |