Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4035920 | 0.99 | RAD52 (0.43) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4041840 | 0.94 | SMN1; SMN2 (0.40) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4037443 | 0.93 | RAD52 (0.41) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4037224 | 0.89 | DRD2 (0.52) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4039720 | 0.89 | CHRM2 (0.39) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4039786 | 0.88 | LMNA (0.51) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6338922 | 0.88 | CYP3A4 (0.52) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4038832 | 0.88 | CYP3A4 (0.52) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL4036505 | 0.87 | LMNA (0.53) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6333796 | 0.86 | MLNR (0.38) | RAD52CYP3A4CYP1A2CYP2D6CYP2C19 |
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 |