Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 20/20 | 0.76 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15391886 | 0.86 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL19225997 | 0.80 | ABL1 (0.77) | ABL1OPRM1KCNH2 | |
| SCHEMBL16714125 | 0.77 | ABL1 (1.00) | ABL1 | |
| SCHEMBL15391083 | 0.76 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL19225996 | 0.76 | ABL1 (0.84) | ABL1OPRM1KCNH2 | |
| SCHEMBL19904624 | 0.75 | ABL1 (0.80) | ABL1 | |
| SCHEMBL22562809 | 0.74 | ABL1 (0.47) | ABL1 | |
| SCHEMBL19225992 | 0.73 | ABL1 (0.77) | ABL1OPRM1KCNH2 | |
| SCHEMBL16714128 | 0.73 | ABL1 (1.00) | ABL1OPRM1KCNH2 | |
| SCHEMBL15392131 | 0.73 | ABL1 (0.76) | ABL1OPRM1KCNH2 |
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 |