Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL19463888 | 0.72 | MAPK1 (0.40) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL440943 | 0.71 | TSHR (0.52) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL8819360 | 0.70 | P2RX7 (0.46) | IDO1P2RX7NUDT1NOTUM | |
| SCHEMBL792348 | 0.69 | — | — | |
| SCHEMBL2752439 | 0.69 | NOTUM (0.38) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL2753943 | 0.69 | CNR2 (0.43) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL6504940 | 0.68 | NUDT1 (0.40) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL21223480 | 0.66 | NUDT1 (0.45) | NUDT1CYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL15381197 | 0.66 | MAPT (0.52) | IDO1P2RX7NUDT1NOTUMCYP2D6 | |
| SCHEMBL597609 | 0.65 | — | — |
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 |