Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5186840 | 0.84 | P4HB (0.44) | PARP1MAPK8CASP1XDHSLC22A12 | |
| SCHEMBL5178694 | 0.81 | CD38 (0.41) | ARPARP1MAPK8PARP2XDH | |
| SCHEMBL50978 | 0.80 | CA12 (0.44) | MAPTCXCR2CXCR1ARHSPA5 | |
| SCHEMBL5188868 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1MAPTHPGDAR | |
| SCHEMBL6804935 | 0.80 | TSHR (0.47) | KDM4EALDH1A1MAPTTSHRAR | |
| SCHEMBL5723905 | 0.78 | HSPA5 (0.61) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL7134588 | 0.76 | TSHR (0.54) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL5045602 | 0.75 | XDH (0.49) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL6165365 | 0.75 | IRAK4 (0.44) | MAPTPARP1CASP1PARP2XDH | |
| SCHEMBL5177813 | 0.74 | MAOB (0.41) | IKBKB |
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 |