Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 3/20 | 0.32 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4187602 | 0.98 | CYP2C19 (0.35) | CYP1A2ALDH1A1CYP2C19FABP4FABP5 | |
| SCHEMBL18731192 | 0.95 | CYP1A2 (0.33) | CYP1A2FABP4 | |
| SCHEMBL3239495 | 0.90 | — | — | |
| SCHEMBL10898072 | 0.88 | FFAR3 (0.31) | — | |
| SCHEMBL2842007 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL27588601 | 0.77 | — | — | |
| SCHEMBL3815734 | 0.76 | MAPT (0.45) | ALDH1A1 | |
| SCHEMBL7205756 | 0.74 | MAPT (0.47) | ALDH1A1 | |
| SCHEMBL4228511 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL13062219 | 0.73 | — | — |
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-0384362-B1 | Glycinderivatives | HOFFMANN LA ROCHE (CH) | 1999-12-15 | — | — | EP | claimed |
| EP-0678503-B1 | Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities | NOVARTIS AG (CH) | 1999-09-01 | — | — | EP | claimed |
| EP-0384362-A2 | Glycinderivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-08-29 | — | — | EP | claimed |