Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588872 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL16372424 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| Hydrochloric Acid SCHEMBL6674382 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| Hydrochloric Acid SCHEMBL6647749 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1808923 | 0.83 | LMNA (0.32) | CYP2D6CYP2C19SCN9A | |
| SCHEMBL9134952 | 0.79 | SCN9A (0.33) | SCN9AHSD17B10 | |
| SCHEMBL21322183 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1604615 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL1604610 | 0.78 | CA14 (0.46) | CYP2D6CYP2C19PKMMMP1MMP8 | |
| SCHEMBL3195946 | 0.77 | — | — |
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 4 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 | claimed |
| WO-2014009495-A1 | ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-16 | — | — | WO | claimed |
| 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 |