Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27802330 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2D6KDM4EHRH1KMT2A | |
| Hydrochloric Acid SCHEMBL28087409 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2D6KDM4EHRH1KMT2A | |
| SCHEMBL888152 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP2D6SIGMAR1MAOAMAOB | |
| Dimethylformamide SCHEMBL28206616 | 0.75 | CYP1A2 (0.79) | CYP1A2CYP2D6 | |
| Formic Acid SCHEMBL27558615 | 0.75 | CYP1A2 (0.79) | CYP1A2CYP2D6KDM4EMEN1KMT2A | |
| Trimethylammonium SCHEMBL19813147 | 0.74 | TSHR (0.44) | MAOAMAOBTAAR1 | |
| SCHEMBL1372 | 0.74 | CYP1A2 (1.00) | CYP1A2CYP2D6 | |
| SCHEMBL4798477 | 0.74 | CYP1A2 (1.00) | CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1689433 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP2D6SIGMAR1MAOAMAOB | |
| Dimethylformamide SCHEMBL28206599 | 0.73 | CYP1A2 (0.76) | CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307203-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1307203-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001070232-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-27 | — | — | WO | disclosed |