Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CCND1 | P24385 | 9/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414385 | 0.90 | LMNA (0.46) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL20203451 | 0.88 | ALDH1A1 (0.51) | ALDH1A1CCND1CDK6NPC1MEN1 | |
| SCHEMBL21414349 | 0.86 | ALDH1A1 (0.50) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL21414369 | 0.86 | CXCR4 (0.44) | CCND1CDK6MEN1KMT2ACDK4 | |
| SCHEMBL21414381 | 0.81 | HRH3 (0.47) | ALDH1A1MEN1KMT2ARAB9AATM | |
| SCHEMBL21414453 | 0.80 | CHEK1 (0.41) | ALDH1A1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL21414345 | 0.80 | KMT2A (0.41) | ALDH1A1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL23108706 | 0.78 | LMNA (0.46) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL1666554 | 0.76 | ALDH1A1 (0.61) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL17660303 | 0.76 | LMNA (0.50) | ALDH1A1NPC1MEN1KMT2AKDM4E |
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 |