Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414344 | 0.86 | HRH3 (0.46) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL20356732 | 0.83 | HRH3 (0.62) | KMT2AALDH1A1CYP2D6MEN1HRH3 | |
| SCHEMBL18291674 | 0.82 | RAB9A (0.54) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL20443001 | 0.81 | ALDH1A1 (0.54) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL25728960 | 0.81 | CYP1A2 (0.63) | KMT2AALDH1A1CYP2D6MEN1HRH3 | |
| SCHEMBL10289221 | 0.80 | LMNA (0.51) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL22876983 | 0.80 | KMT2A (0.42) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL21414363 | 0.79 | ALDH1A1 (0.55) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL8244953 | 0.79 | ALDH1A1 (0.65) | RAB9AKMT2AALDH1A1CYP2D6MEN1 | |
| SCHEMBL18291538 | 0.79 | RAB9A (0.52) | RAB9AKMT2AALDH1A1CYP2D6MEN1 |
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 |