Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288128 | 1.00 | KCNH2 (0.52) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8941191 | 1.00 | KCNH2 (0.52) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL7225053 | 0.86 | KCNH2 (0.61) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8555926 | 0.85 | TACR3 (0.41) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL2791836 | 0.83 | KCNH2 (0.44) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL7212295 | 0.83 | ADORA2A (0.69) | ADORA2AADORA1CYP2D6CYP1A2MAPT | |
| SCHEMBL7219159 | 0.83 | ADORA2A (0.69) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL9738024 | 0.82 | CYP2D6 (0.44) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL8577591 | 0.81 | KCNH2 (0.50) | KCNH2ADORA2AADORA1CYP3A4ADORA3 | |
| SCHEMBL10311379 | 0.81 | MAPT (0.39) | KCNH2ADORA2AADORA1CYP3A4ADORA3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0553778-B1 | Asymmetric hydrogenation | HOFFMANN LA ROCHE (CH) | 2001-12-12 | — | — | EP | disclosed |
| EP-0582692-B1 | DIPHOSPHINE LIGANDS | HOFFMANN LA ROCHE (CH) | 1998-04-22 | — | — | EP | disclosed |
| US-5514805-A | ASSYMETRIC HYDROGENATION OF A PYRIDINECARBONYL COMPOUND, RHODIUM PHOSPHINE CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1996-05-07 | — | — | US | disclosed |
| US-5508438-A | Phosphorus compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-04-16 | — | — | US | disclosed |
| EP-0582692-A1 | DIPHOSPHINE LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 1994-02-16 | — | — | EP | disclosed |
| WO-1993015089-A1 | DIPHOSPHINE LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-08-05 | — | — | WO | disclosed |
| EP-0553778-A1 | Asymmetric hydrogenation | F. HOFFMANN-LA ROCHE AG (CH) | 1993-08-04 | — | — | EP | disclosed |