Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL20038327 | 0.83 | DRD3 (0.47) | ALDH1A1OPRM1OPRL1CYP2C19 | |
| SCHEMBL20038358 | 0.81 | ALDH1A1 (0.36) | ALDH1A1DRD2OPRM1OPRL1CYP2C19 | |
| SCHEMBL20249472 | 0.80 | GAA (0.38) | HRH3ALDH1A1AKR1C3OPRM1OPRL1 | |
| SCHEMBL20203463 | 0.80 | ALDH1A1 (0.38) | HRH3ALDH1A1PKMOPRM1OPRL1 | |
| SCHEMBL22650942 | 0.75 | CDK4 (0.34) | ALDH1A1OPRM1OPRL1 | |
| SCHEMBL22876979 | 0.74 | ALDH1A1 (0.56) | HRH3CYP1A2CYP2D6ALDH1A1NPC1 | |
| SCHEMBL21414402 | 0.72 | SLC6A2 (0.39) | HRH3AKR1C3OPRM1OPRL1 | |
| SCHEMBL17226924 | 0.71 | MAPT (0.42) | HRH3CYP1A2CYP2D6ALDH1A1DRD2 | |
| SCHEMBL20255265 | 0.69 | DRD3 (0.36) | HRH3OPRM1OPRL1CYP2C19 | |
| SCHEMBL20249309 | 0.69 | GAA (0.37) | HRH3ALDH1A1DRD2OPRM1OPRL1 |
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 |