Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18806180 | 0.87 | CDK1 (0.44) | HDAC3HDAC1HDAC10HDAC11HTR1A | |
| SCHEMBL24199411 | 0.85 | HDAC1 (0.48) | HDAC3HDAC1HDAC10HDAC11HTR1A | |
| SCHEMBL20203582 | 0.80 | KDR (0.40) | CDK4CDK2CDK6CDK1CDK7 | |
| SCHEMBL23733468 | 0.80 | NPC1 (0.42) | CDK4CDK2CDK6CDK1CDK7 | |
| SCHEMBL20203591 | 0.79 | GABRG2 (0.36) | CDK4CDK2CDK6CDK1CDK7 | |
| SCHEMBL20203603 | 0.79 | CDK1 (0.46) | HTR1ADRD2CDK4CDK2CDK6 | |
| SCHEMBL23733491 | 0.79 | CYP2C19 (0.38) | CDK4CDK2CDK6CDK1CDK7 | |
| SCHEMBL20203495 | 0.79 | ACE (0.40) | HPGD | |
| SCHEMBL18819907 | 0.79 | HSP90AA1 (0.38) | CDK4ENPP2GABRG2GABRB3GABRA5 | |
| SCHEMBL20203639 | 0.78 | FNTA (0.45) | KMT2A |
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-3546458-B1 | ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER | TEIJIN PHARMA LTD (JP) | 2021-01-06 | — | — | EP | disclosed |