Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.46 |
| ▸ | CDK2 | P24941 | 3/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23000039 | 0.99 | AURKA (0.50) | AURKACCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL9959309 | 0.87 | CDK5 (0.49) | AURKACCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL23000040 | 0.85 | AXL (0.42) | CCNA2CDK2CDK5CDK5R1GRM5 | |
| SCHEMBL23021156 | 0.85 | CDK2 (0.63) | AURKACCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL17106477 | 0.85 | CDK5 (0.61) | AURKACCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL23021273 | 0.85 | TP53 (0.43) | AURKACCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL22999553 | 0.85 | CDK2 (0.55) | AURKACCNA2CDK2CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL22999614 | 0.84 | CDK2 (0.62) | AURKACCNA2CDK2CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL22999918 | 0.84 | GRM5 (0.62) | CCNA2CDK2CDK5CDK5R1GRM5 | |
| Hydrochloric Acid SCHEMBL22999742 | 0.84 | CDK5 (0.60) | AURKACCNA2CDK2CDK5CDK5R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021032323-A1 | FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES | GALAPAGOS NV (BE) | 2021-02-25 | — | — | WO | disclosed |
| EP-3782997-A1 | FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES | Galapagos N.V. (BE) | 2021-02-24 | — | — | EP | disclosed |