Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19066984 | 0.85 | NOS3 (0.50) | NOS3NOS2ADORA2AADORA1KMO | |
| SCHEMBL28946840 | 0.83 | ADORA2A (0.51) | ADORA2AADORA1NPC1RAB9AXDH | |
| SCHEMBL7210508 | 0.81 | IDO1 (0.53) | KMONPC1RAB9AIDO1SCN2A | |
| SCHEMBL2666275 | 0.81 | KMO (0.48) | KMONPC1RAB9AXDHIDO1 | |
| SCHEMBL29206336 | 0.81 | KMO (0.48) | ADORA2AADORA1KMONPC1RAB9A | |
| SCHEMBL11390484 | 0.81 | AURKA (0.47) | ADORA2AADORA1KMONPC1RAB9A | |
| SCHEMBL3794168 | 0.80 | TRPV3 (0.48) | NOS3NOS2 | |
| SCHEMBL13728192 | 0.79 | KMO (0.52) | KMO | |
| SCHEMBL2885661 | 0.78 | MEN1 (0.51) | NPC1RAB9A | |
| SCHEMBL28450652 | 0.78 | KDM4E (0.56) | ADORA2AADORA1KMONPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023242228-A1 | 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS | UNIVERSITEIT LEIDEN (NL) | 2023-12-21 | — | — | WO | disclosed |
| EP-4112605-A1 | PYRIMIDINE-2,4-DIAMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Anhui Medical University (CN) | 2023-01-04 | — | — | EP | disclosed |
| WO-2005005382-A2 | COMPOUNDS, COMPOSITIONS AND METHODS | CYTOKINETICS, INC. (US) | 2005-01-20 | — | — | WO | disclosed |