Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14254331 | 0.87 | CTSS (0.48) | CTSSCTSKKLK5S1PR3TRPA1 | |
| SCHEMBL1554126 | 0.87 | CTSS (0.48) | CTSSCTSKKLK5S1PR3TRPA1 | |
| SCHEMBL1554122 | 0.87 | CTSS (0.48) | CTSSCTSKKLK5S1PR3TRPA1 | |
| SCHEMBL3375087 | 0.87 | CTSK (0.51) | CTSSCTSKS1PR3MAPTATM | |
| SCHEMBL2582580 | 0.87 | CTSS (0.48) | CTSSCTSKKLK5S1PR3TRPA1 | |
| SCHEMBL3375084 | 0.87 | CTSK (0.51) | CTSSCTSKS1PR3MAPTATM | |
| SCHEMBL1525552 | 0.85 | S1PR3 (0.52) | CTSSCTSKS1PR3TRPA1MAPT | |
| SCHEMBL3503830 | 0.85 | CTSS (0.47) | CTSSCTSKS1PR3MAPTAAK1 | |
| SCHEMBL21787638 | 0.85 | CTSS (0.47) | CTSSCTSKKLK5S1PR3SLC6A3 | |
| SCHEMBL2426585 | 0.85 | NPSR1 (0.50) | CTSSCTSKS1PR3MAPTATM |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | disclosed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |