Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.34 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2466657 | 0.81 | CCNE2 (0.40) | GAAGFERCCNE2CCNE1CDK2 | |
| SCHEMBL15306998 | 0.79 | GAA (0.34) | GAAGFERCCNE2CCNE1CDK2 | |
| SCHEMBL1923447 | 0.77 | GAA (0.43) | GAAGFERPDPK1POLBALDH1A1 | |
| SCHEMBL3699537 | 0.74 | TSHR (0.46) | GAAGFERCDK7CDK9ALDH1A1 | |
| SCHEMBL18895830 | 0.74 | YTHDC1 (0.35) | GAAGFERCCNE2CCNE1CDK2 | |
| SCHEMBL3749392 | 0.73 | PDPK1 (0.46) | GAAGFERPDPK1RPS6KB1POLB | |
| SCHEMBL3804253 | 0.73 | GAA (0.40) | GAAGFERPDPK1POLBALDH1A1 | |
| Sulfuric Acid SCHEMBL31278552 | 0.71 | GAA (0.39) | GAAGFERPOLB | |
| SCHEMBL942577 | 0.70 | PDE4D (0.56) | GAAPOLBALDH1A1MAPTHTT | |
| SCHEMBL13211644 | 0.68 | PDPK1 (0.45) | PDPK1GDACDK2CCNA2CCNA1 |
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-3052485-B1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC (US) | 2021-07-28 | — | — | EP | disclosed |
| US-9663519-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-05-30 | — | — | US | disclosed |
| US-4163846-A | HERBICIDES | FISONS LIMITED (GB) | 1979-08-07 | — | — | US | disclosed |