Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 20/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19520206 | 0.89 | ABL1 (0.60) | ABL1OPRM1KCNH2 | |
| SCHEMBL19545168 | 0.87 | ABL1 (0.71) | ABL1OPRM1KCNH2 | |
| SCHEMBL19520199 | 0.86 | ABL1 (0.59) | ABL1OPRM1KCNH2 | |
| SCHEMBL19544768 | 0.85 | ABL1 (0.68) | ABL1OPRM1KCNH2 | |
| SCHEMBL19520495 | 0.82 | ABL1 (0.60) | ABL1OPRM1KCNH2 | |
| SCHEMBL19545251 | 0.82 | ABL1 (0.67) | ABL1OPRM1KCNH2 | |
| SCHEMBL19544741 | 0.82 | ABL1 (0.64) | ABL1OPRM1KCNH2 | |
| SCHEMBL19544748 | 0.82 | ABL1 (0.64) | ABL1OPRM1KCNH2 | |
| SCHEMBL19544806 | 0.81 | ABL1 (0.61) | ABL1OPRM1KCNH2 | |
| SCHEMBL19520201 | 0.81 | ABL1 (0.63) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |
| WO-2017186148-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS | ASTAR BIOTECH LLC (US) | 2017-11-02 | — | — | WO | disclosed |