Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.66 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.66 |
| ▸ | GRM5 | P41594 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 2/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 8/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PLK1 | P53350 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 SCHEMBL22999875 | 0.99 | CDK5 (0.64) | CDK5CDK5R1GRM5ALDH1A1MAOA | |
| SCHEMBL9959983 | 0.88 | CDK5 (0.69) | CDK5CDK5R1GRM5ALDH1A1MAOA | |
| SCHEMBL22999829 | 0.86 | CDK5 (0.51) | CDK5CDK5R1GRM5ALDH1A1KDM4E | |
| SCHEMBL23020822 | 0.85 | CDK5 (0.69) | CDK5CDK5R1USP2AURKASYK | |
| SCHEMBL23021156 | 0.85 | CDK2 (0.63) | CDK5CDK5R1GRM5ALDH1A1MAOB | |
| Hydrochloric Acid SCHEMBL22999667 | 0.84 | CDK5 (0.67) | CDK5CDK5R1USP2AURKASYK | |
| Hydrochloric Acid SCHEMBL22999614 | 0.83 | CDK2 (0.62) | CDK5CDK5R1GRM5ALDH1A1MAOB | |
| SCHEMBL23020725 | 0.83 | CTSC (0.51) | CDK5CDK5R1SYKCDK2 | |
| SCHEMBL23020744 | 0.82 | AURKA (0.51) | CDK5CDK5R1GRM5ALDH1A1SMN1; SMN2 | |
| SCHEMBL17106477 | 0.81 | CDK5 (0.61) | CDK5CDK5R1GRM5ALDH1A1MAOA |
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-3782997-A1 | FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES | Galapagos N.V. (BE) | 2021-02-24 | — | — | EP | disclosed |