Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9151971 | 0.89 | CYP2D6 (0.61) | CYP3A4CYP2D6CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL11757293 | 0.89 | CYP2D6 (0.61) | CYP3A4CYP2D6CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL11447599 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19MTNR1BSMN1; SMN2 | |
| SCHEMBL11465395 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19MTNR1BSMN1; SMN2 | |
| SCHEMBL11755929 | 0.86 | HSD11B1 (0.46) | CYP3A4CYP2D6CYP2C19MTNR1BSMN1; SMN2 | |
| SCHEMBL27825960 | 0.86 | ABCB1 (0.44) | MTNR1BMTNR1AMEN1KMT2A | |
| SCHEMBL19427415 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL10568585 | 0.81 | TSHR (0.42) | SMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL16596978 | 0.81 | BCHE (0.53) | CYP2D6BCHEACHEMAPK1 | |
| SCHEMBL2067120 | 0.81 | BCHE (0.53) | CYP2D6BCHEACHEMAPK1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834506-B1 | Process for the preparation of (9alpha, 13alpha, 14alpha)-1-(3-Methoxymorphinan-17-yl)alkanones | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| EP-0583433-B1 | DIPHOSPHINE LIGANDS | HOFFMANN LA ROCHE (CH) | 1999-05-12 | — | — | EP | disclosed |
| EP-0579797-B1 | DIPHOSPHINE LIGANDS | HOFFMANN LA ROCHE (CH) | 1999-04-21 | — | — | EP | disclosed |
| EP-0647648-B1 | Optically active phosphorus compounds | HOFFMANN LA ROCHE (CH) | 1999-03-10 | — | — | EP | disclosed |
| EP-0834506-A1 | Process for the preparation of (9alpha, 13alpha, 14alpha)-1-(3-Methoxymorphinan-17-yl)alkanones | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-08 | — | — | EP | disclosed |
| US-5516944-A | ENANTIOMORPHS WITH PHOSPHINE GROUPS FOR FORMING METAL COMPLEXES | HOFFMANN-LA ROCHE INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5457219-A | Used in making hydrogenation catalysts and isomerization catalysts | HOFFMANN-LA ROCHE INC. (US) | 1995-10-10 | — | — | US | disclosed |
| EP-0397042-B1 | Process for the preparation of isoquinoline derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-16 | — | — | EP | disclosed |
| US-5430191-A | Assymetric hydrogenation catalysts, enantioselective hydrogen displacement | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0647648-A1 | Optically active phosphorus compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1995-04-12 | — | — | EP | disclosed |
| EP-0315886-B1 | Isoquinoline derivatives, their manufacture and use | HOFFMANN LA ROCHE (CH) | 1995-02-15 | — | — | EP | disclosed |
| US-5360908-A | Isomeriation, assymetric hydrogenation | HOFFMAN-LAROCHE INC. (US) | 1994-11-01 | — | — | US | disclosed |
| EP-0583433-A1 | DIPHOSPHINE LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 1994-02-23 | — | — | EP | disclosed |
| WO-1993015090-A1 | DIPHOSPHINE LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-08-05 | — | — | WO | disclosed |
| EP-0397042-A2 | Process for the preparation of isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-11-14 | — | — | EP | disclosed |
| US-4857648-A | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 1989-08-15 | — | — | US | disclosed |
| EP-0315886-A2 | Isoquinoline derivatives, their manufacture and use | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-17 | — | — | EP | disclosed |