Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 10/20 | 0.41 |
| ▸ | CDK1 | P06493 | 7/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.35 |
| ▸ | CDK9 | P50750 | 4/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL29315373 | 0.79 | KDR (0.48) | KDRCDK1ADORA1ALDH1A1ALOX15 | |
| SCHEMBL29314862 | 0.75 | ADORA1 (0.64) | KDRCDK1ADORA1ALDH1A1ALOX15 | |
| SCHEMBL29314691 | 0.70 | ADORA1 (0.63) | KDRCDK1ADORA1ALDH1A1ALOX15 | |
| SCHEMBL29314783 | 0.68 | KDR (0.47) | KDRCDK1ADORA1ADORA2A | |
| SCHEMBL29314732 | 0.68 | KDR (0.61) | KDRCDK1ADORA1CCNT1CCNA2 | |
| SCHEMBL13523666 | 0.66 | KDM4E (0.41) | KDRCDK1ADORA1ALDH1A1RAB9A | |
| SCHEMBL20460005 | 0.65 | CYP11B1 (1.00) | CYP11B1CYP11B2 | |
| SCHEMBL25598891 | 0.65 | CSNK1A1 (0.42) | KDRCDK1ADORA1ALDH1A1RAB9A | |
| SCHEMBL23019360 | 0.64 | KDR (0.41) | KDRCDK1ADORA1ALDH1A1ALOX15 | |
| SCHEMBL29314874 | 0.64 | CDK1 (0.56) | KDRCDK1ADORA1CCNT1CDK2 |
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-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |