Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9047222 | 0.76 | HRH3 (0.42) | — | |
| SCHEMBL18017246 | 0.74 | NOS3 (0.43) | NOS3NOS2NOS1KDM5APHGDH | |
| SCHEMBL12250775 | 0.71 | HRH4 (0.42) | NOS3NOS2NOS1KDM5APHGDH | |
| SCHEMBL9472907 | 0.68 | NOS3 (0.63) | NOS3NOS2NOS1HPGDKMT2A | |
| SCHEMBL1050198 | 0.68 | NOS3 (0.63) | NOS3NOS2NOS1HPGDKMT2A | |
| SCHEMBL7489 | 0.68 | — | — | |
| SCHEMBL29648194 | 0.66 | NOS3 (0.55) | NOS3NOS2NOS1KMT2A | |
| SCHEMBL3084862 | 0.66 | NOS3 (0.55) | NOS3NOS2NOS1KMT2A | |
| Hypochlorous Acid SCHEMBL6563538 | 0.66 | NOS3 (0.55) | NOS3NOS2NOS1HPGDKMT2A | |
| Iodide SCHEMBL20816339 | 0.66 | NOS3 (0.60) | NOS3NOS2NOS1HPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3988549-A1 | MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-04-27 | — | — | EP | disclosed |