Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL24298898 | 0.77 | HSP90AA1 (0.38) | CDK2HSP90AA1NPC1RAB9AHRH3 | |
| SCHEMBL22783092 | 0.65 | CYP3A4 (0.36) | — | |
| SCHEMBL24786362 | 0.62 | CASP1 (0.35) | KDM4EALDH1A1MAPT | |
| SCHEMBL1334584 | 0.62 | ADORA2A (0.40) | CDK4CDK2CCNE1HSP90AA1AURKA | |
| SCHEMBL22919899 | 0.62 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL1334581 | 0.62 | ADORA2A (0.40) | CDK4CDK2CCNE1HSP90AA1AURKA | |
| SCHEMBL2036795 | 0.62 | ADORA2A (0.45) | KDM4EALDH1A1CDK2HSP90AA1AURKA | |
| Hydrochloric Acid SCHEMBL2018276 | 0.60 | ADORA2A (0.44) | KDM4EALDH1A1CDK2HSP90AA1AURKA | |
| SCHEMBL29531700 | 0.60 | — | — | |
| SCHEMBL91470 | 0.60 | — | — |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |