Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 18/20 | 0.79 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.63 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL16714103 | 0.89 | ABL1 (0.77) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL15391889 | 0.88 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL16714111 | 0.84 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL29771395 | 0.84 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL23390105 | 0.82 | ABL1 (0.83) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL16714107 | 0.82 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL15392233 | 0.81 | ABL1 (1.00) | ABL1KCNH2 | |
| SCHEMBL15391083 | 0.80 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL16714118 | 0.79 | ABL1 (1.00) | ABL1OPRM1KCNH2SCN10A | |
| SCHEMBL23390206 | 0.78 | ABL1 (0.79) | ABL1OPRM1KCNH2SCN10A |
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 |