Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20203525 | 0.89 | ACHE (0.43) | CHEK1ACHELTA4HKMT2AHRH3 | |
| SCHEMBL21414381 | 0.81 | HRH3 (0.47) | ACHELTA4HKMT2AHRH3MEN1 | |
| SCHEMBL21414345 | 0.81 | KMT2A (0.41) | KMT2AHRH3MEN1ALDH1A1CYP2D6 | |
| SCHEMBL21414378 | 0.80 | ALDH1A1 (0.49) | KMT2AMEN1ALDH1A1RAB9ATP53 | |
| SCHEMBL21414385 | 0.79 | LMNA (0.46) | KMT2AHRH3MEN1ALDH1A1RAB9A | |
| SCHEMBL21414369 | 0.78 | CXCR4 (0.44) | KMT2AHRH3MEN1 | |
| SCHEMBL22650374 | 0.77 | ACHE (0.45) | CHEK1ACHELTA4HKMT2AHRH3 | |
| SCHEMBL21414349 | 0.76 | ALDH1A1 (0.50) | KMT2AHRH3MEN1ALDH1A1RAB9A | |
| SCHEMBL31612484 | 0.71 | ALDH1A1 (0.54) | ACHELTA4HKMT2AHRH3MEN1 | |
| SCHEMBL20203580 | 0.71 | ALDH1A1 (0.50) | ACHELTA4HKMT2AHRH3MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3546458-A1 | PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2019-10-02 | — | — | EP | disclosed |