Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15637242 | 0.86 | POLB (0.43) | IDO1 | |
| SCHEMBL7366096 | 0.76 | NPC1 (0.39) | MAPK1 | |
| SCHEMBL440943 | 0.72 | TSHR (0.52) | NUDT1NOTUMIDO1CNR2P2RX7 | |
| SCHEMBL15637754 | 0.71 | ALDH1A1 (0.38) | IDO1MAOAMAPK1ADRA1A | |
| SCHEMBL558368 | 0.71 | — | — | |
| SCHEMBL15637224 | 0.68 | ACHE (0.31) | — | |
| SCHEMBL6497673 | 0.68 | IDO1 (0.39) | NUDT1NOTUMIDO1CNR2P2RX7 | |
| SCHEMBL8819360 | 0.67 | P2RX7 (0.46) | NUDT1NOTUMIDO1P2RX7 | |
| SCHEMBL15638406 | 0.67 | CYP2A6 (0.40) | NOTUMIDO1GRM5 | |
| SCHEMBL2752439 | 0.67 | NOTUM (0.38) | NUDT1NOTUMIDO1CNR2CNR1 |
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 |