Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 10/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15413788 | 0.88 | XIAP (0.47) | XIAPSCN9A | |
| SCHEMBL15413848 | 0.83 | RIPK1 (0.41) | RIPK1XIAPMTNR1AMTNR1BNQO2 | |
| SCHEMBL9024217 | 0.80 | RIPK1 (0.41) | RIPK1MTNR1AMTNR1BNQO2CCKBR | |
| SCHEMBL17321254 | 0.74 | GAA (0.43) | RIPK1 | |
| SCHEMBL9023873 | 0.73 | RIPK1 (0.41) | RIPK1MTNR1AMTNR1BCCKBRMC4R | |
| SCHEMBL17321319 | 0.73 | BACE1 (0.44) | RIPK1 | |
| SCHEMBL15413789 | 0.73 | XIAP (0.47) | XIAPSCN9A | |
| SCHEMBL15414798 | 0.73 | XIAP (0.47) | XIAPSCN9A | |
| SCHEMBL6137895 | 0.73 | CASP1 (0.43) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL6200359 | 0.73 | CASP1 (0.43) | MTNR1AMTNR1BNQO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2872490-A1 | ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES | F. Hoffmann-La Roche AG (CH) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009495-A1 | ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-16 | — | — | WO | disclosed |