Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 18/20 | 0.77 |
| ▸ | BCR | P11274 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16714124 | 0.87 | ABL1 (1.00) | ABL1BCROPRM1KCNH2 | |
| SCHEMBL19225989 | 0.80 | ABL1 (0.76) | ABL1OPRM1KCNH2 | |
| SCHEMBL16727882 | 0.74 | ABL1 (0.77) | ABL1OPRM1KCNH2 | |
| SCHEMBL15392485 | 0.72 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL19225992 | 0.68 | ABL1 (0.77) | ABL1OPRM1KCNH2 | |
| SCHEMBL22562809 | 0.68 | ABL1 (0.47) | ABL1BCRKDM4EMAPTMAPK1 | |
| SCHEMBL15392131 | 0.67 | ABL1 (0.76) | ABL1OPRM1KCNH2 | |
| SCHEMBL15391886 | 0.67 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL24232752 | 0.66 | CNR1 (0.67) | ABL1 | |
| SCHEMBL40313 | 0.66 | FEN1 (0.55) | ABL1ALOX5APFEN1 |
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-2900637-B1 | THIAZOLE OR IMIDAZOLE SUBSTITUTED PYRIMIDINE, PYRIDINE AND PYRAZINE AMIDE DERIVATIVES AND RELATED COMPOUNDS AS ABL1, ABL2 AND BCR-ABL1 INHIBITORS FOR THE TREATMENT OF CANCER, SPECIFIC VIRAL INFECTIONS AND SPECIFIC CNS DISORDERS | NOVARTIS AG (CH) | 2017-08-09 | — | — | EP | disclosed |