Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5177450 | 0.83 | VCAM1 (0.40) | CD38CYP3A4KCNH2PARP1PDE4B | |
| SCHEMBL5177554 | 0.81 | CD38 (0.48) | CD38CYP3A4KCNH2 | |
| SCHEMBL5178408 | 0.81 | KDM4E (0.41) | PARP1ARMAPK8PARP2XDH | |
| SCHEMBL5175745 | 0.80 | CD38 (0.50) | CD38CYP3A4KCNH2GSK3B | |
| SCHEMBL5186840 | 0.73 | P4HB (0.44) | KCNH2PARP1MAPK8FFAR1FFAR4 | |
| SCHEMBL5176452 | 0.73 | CD38 (0.41) | CD38CYP3A4KCNH2PARP1AR | |
| SCHEMBL50978 | 0.72 | CA12 (0.44) | AR | |
| SCHEMBL5177975 | 0.71 | KMT2A (0.39) | KCNH2KDRPIK3CAPIK3CBMTOR | |
| SCHEMBL5045602 | 0.70 | XDH (0.49) | PARP1MAPK8PARP2XDHSLC22A12 | |
| SCHEMBL2965097 | 0.69 | PARP15 (0.46) | KCNH2PARP1PARP2KDRPIK3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791810-A1 | 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS | F. Hoffmann-Roche AG (CH) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006027135-A1 | 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-16 | — | — | WO | disclosed |