Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | MTOR | P42345 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | THPO | P40225 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | GMNN | O75496 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6338922 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| Hydrochloric Acid SCHEMBL4036505 | 0.99 | LMNA (0.53) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL6335341 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL4041467 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL4037224 | 0.93 | DRD2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| Hydrochloric Acid SCHEMBL4039786 | 0.92 | LMNA (0.51) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| Hydrochloric Acid SCHEMBL4039720 | 0.90 | CHRM2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL4037897 | 0.88 | RAD52 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL6343117 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR | |
| SCHEMBL6336135 | 0.87 | RAD52 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19MTOR |
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-1284977-B1 | THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS | GLAXOSMITHKLINE ZAGREB (HR) | 2009-06-24 | — | — | EP | claimed |