Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK3 | P07288 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1460033 | 0.85 | KLK3 (0.32) | KLK3CYP2C9CYP2C19CYP2D6CYP19A1 | |
| SCHEMBL14844251 | 0.81 | CYP2A6 (0.47) | CYP2C9CYP2C19CYP19A1CYP2E1CYP3A4 | |
| SCHEMBL1460039 | 0.73 | TRPM8 (0.40) | KLK3CYP2C9CYP2C19CYP2D6CYP19A1 | |
| SCHEMBL15056138 | 0.68 | TGFBR1 (0.39) | — | |
| SCHEMBL1458892 | 0.67 | CYP2A6 (0.43) | CYP2C9CYP2C19CYP2D6CYP19A1CYP2E1 | |
| SCHEMBL28470752 | 0.64 | L3MBTL1 (0.37) | ALDH1A1HPGD | |
| SCHEMBL1458796 | 0.64 | GSK3B (0.34) | CDC7ALDH1A1HPGDTSHRKDM4E | |
| SCHEMBL5174261 | 0.63 | CYP2D6 (0.41) | CYP2C9CYP2C19CYP2D6CYP19A1PIM1 | |
| SCHEMBL27556535 | 0.63 | NAAA (0.42) | ALDH1A1KDM4E | |
| SCHEMBL15123655 | 0.62 | KLK3 (0.40) | KLK3CYP2C9CYP2C19CYP2D6CYP19A1 |
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-2013092467-A1 | 7-AZAINDOLE INHIBITORS OF CRAC | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-27 | — | — | WO | disclosed |
| WO-2013050341-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |