Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | THPO | P40225 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7539756 | 0.86 | ADRA1D (0.66) | CYP2D6KCNA3ADRA1D | |
| Hydrochloric Acid SCHEMBL9031120 | 0.83 | CYP1A2 (0.63) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7533736 | 0.83 | CYP1A2 (0.62) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7532398 | 0.82 | OPRM1 (0.77) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7533678 | 0.82 | CYP1A2 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL7535908 | 0.80 | CYP1A2 (0.58) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL8559411 | 0.79 | HTR1A (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL13929345 | 0.78 | SIGMAR1 (0.59) | CYP2C9NPSR1KCNA3ADRA1D | |
| SCHEMBL8556970 | 0.78 | ADRA1D (0.60) | CYP2D6CYP1A2CYP3A4CYP2C9THPO | |
| SCHEMBL5705058 | 0.78 | CYP1A2 (0.65) | CYP2D6CYP1A2CYP3A4CYP2C9THPO |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037635-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2002-11-13 | — | — | EP | claimed |
| US-6476028-B1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2002-11-05 | — | — | US | claimed |
| EP-1037635-A1 | COMPOUNDS AND METHODS | Smithkline Beecham (US) | 2000-09-27 | — | — | EP | claimed |
| WO-1999017773-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-04-15 | — | — | WO | claimed |
| EP-1037635-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6476028-B1 | Compounds and methods | SMITHKLINE BEECHAM CORPORATION | 2002-11-05 | — | — | US | disclosed |
| EP-1037635-A1 | COMPOUNDS AND METHODS | Smithkline Beecham (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999017773-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-04-15 | — | — | WO | disclosed |