Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28471494 | 0.80 | F10 (0.43) | NPC1KDM4EF10PTGS2 | |
| SCHEMBL4909477 | 0.79 | F10 (0.39) | ALDH1A1F10PTGS2 | |
| SCHEMBL29842516 | 0.78 | F10 (0.43) | NPC1KDM4EF10PTGS2 | |
| SCHEMBL31056388 | 0.77 | NPC1 (0.57) | NPC1KDM4EALDH1A1PARP1PARP2 | |
| SCHEMBL29410870 | 0.76 | NPC1 (0.70) | NPC1KDM4EALDH1A1PARP1AURKA | |
| SCHEMBL325422 | 0.76 | NPC1 (0.70) | NPC1KDM4EALDH1A1PARP1AURKA | |
| SCHEMBL6568198 | 0.76 | NPC1 (0.59) | NPC1KDM4EALDH1A1PARP1PARP2 | |
| Bromide SCHEMBL6256143 | 0.75 | NPC1 (0.68) | NPC1KDM4EALDH1A1PARP1AURKA | |
| SCHEMBL21805487 | 0.75 | PIK3CD (0.40) | NPC1KDM4EALDH1A1F10PTGS2 | |
| SCHEMBL27623442 | 0.73 | PTGS2 (0.43) | NPC1KDM4EALDH1A1F10PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771441-B8 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-1771441-A1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2005082895-A1 | NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-09 | — | — | WO | disclosed |