Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | IL6 | P05231 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414380 | 0.84 | KMT2A (0.44) | KMT2AHRH3TLR7KCNH2CACNA1I | |
| SCHEMBL21414344 | 0.83 | HRH3 (0.46) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL21414342 | 0.80 | RAB9A (0.55) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL20356732 | 0.77 | HRH3 (0.62) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL20443001 | 0.76 | ALDH1A1 (0.54) | KMT2AHRH3CYP2D6CYP1A2PRMT5 | |
| SCHEMBL25728960 | 0.76 | CYP1A2 (0.63) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL10289221 | 0.75 | LMNA (0.51) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL12651283 | 0.74 | HRH3 (0.53) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL21414343 | 0.74 | CXCR4 (0.49) | KMT2AHRH3CYP2D6CYP1A2MEN1 | |
| SCHEMBL12829333 | 0.72 | MEN1 (0.69) | KMT2AHRH3CYP2D6MEN1ATM |
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 |