Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 9/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL458016 | 0.85 | CYP2A6 (0.48) | — | |
| SCHEMBL1047922 | 0.75 | CNR2 (0.50) | CNR2CNR1DHODHNOTUMIDO1 | |
| SCHEMBL2753314 | 0.74 | IDO1 (0.40) | CNR2CNR1DHODHNOTUMP2RX7 | |
| SCHEMBL15063933 | 0.73 | CA12 (0.43) | — | |
| SCHEMBL6190813 | 0.72 | CNR2 (0.39) | CNR2CNR1DHODHNOTUM | |
| SCHEMBL15063610 | 0.70 | — | — | |
| SCHEMBL457915 | 0.70 | PTPRC (0.41) | — | |
| SCHEMBL15063990 | 0.70 | ALDH1A1 (0.48) | IDO1 | |
| SCHEMBL4453342 | 0.70 | CNR2 (0.53) | CNR2CNR1DHODHNOTUMIDO1 | |
| SCHEMBL513430 | 0.69 | ESR2 (0.51) | NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | claimed |
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |