Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 19/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL18899578 | 0.83 | ABL1 (0.51) | ABL1 | |
| SCHEMBL18899273 | 0.77 | CYP1A2 (0.47) | ABL1CYP1A2CYP2A6 | |
| SCHEMBL18899968 | 0.76 | CYP1A2 (0.53) | ABL1CYP1A2CYP2A6 | |
| SCHEMBL18900186 | 0.75 | ABL1 (0.60) | ABL1CYP1A2CYP2A6 | |
| SCHEMBL18900036 | 0.74 | ABL1 (0.51) | ABL1CYP1A2CYP2A6 | |
| SCHEMBL18762209 | 0.74 | ABL1 (0.44) | ABL1 | |
| SCHEMBL18762208 | 0.73 | PSMB5 (0.46) | ABL1CYP1A2 | |
| SCHEMBL18899830 | 0.73 | ABL1 (0.52) | ABL1 | |
| SCHEMBL18900177 | 0.71 | LCK (0.57) | ABL1CYP1A2CYP2A6 | |
| SCHEMBL18899493 | 0.71 | ABL1 (0.74) | ABL1 |
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-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |