Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6073169 | 0.89 | CYSLTR2 (0.33) | TAAR1ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL6073090 | 0.85 | TAAR1 (0.44) | TAAR1ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL6072678 | 0.81 | TAAR1 (0.41) | TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL808974 | 0.79 | IAPP (0.46) | TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29712399 | 0.78 | TAAR1 (0.47) | TAAR1ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL809020 | 0.78 | TAAR1 (0.47) | TAAR1ALDH1A1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL6691667 | 0.78 | IAPP (0.47) | TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1964215 | 0.76 | HDAC3 (0.57) | TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29381368 | 0.76 | HDAC3 (0.57) | TAAR1ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8564220 | 0.75 | CYP4F2 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006000398-A1 | 2,3-BENZOXAZIN DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2006-01-05 | — | — | WO | disclosed |