Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | TOP1 | P11387 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1768446 | 0.88 | CA1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1768310 | 0.85 | TOP1 (0.47) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7626440 | 0.85 | FABP4 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28148154 | 0.81 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4136425 | 0.80 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29463736 | 0.79 | — | — | |
| SCHEMBL245025 | 0.79 | — | — | |
| SCHEMBL7289398 | 0.79 | CA1 (0.36) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28899565 | 0.79 | APP (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28318243 | 0.79 | FABP4 (0.42) | CA1CA2CA7CA9CA12 |
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 9 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 |
| US-6037479-A | USEFUL IN ENANTIOSELECTIVE REACTIONS AND WHICH GIVE RISE TO IMPROVED OPTICAL YIELDS | HOFFMAN-LA ROCHE INC. (US) | 2000-03-14 | — | — | US | disclosed |
| EP-0889049-A1 | Novel diarsine compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-07 | — | — | 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 |