Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21414349 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL20037592 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL21414330 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL21414366 | 0.81 | CXCR4 (0.45) | MEN1KMT2AESR1ESR2HRH3 | |
| SCHEMBL21414363 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL18291650 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL22876979 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL2233280 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL2233284 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGAANPC1 | |
| SCHEMBL18291437 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGAANPC1 |
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 |