Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 6/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686317 | 0.95 | ITGB3 (0.49) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL7237067 | 0.91 | ITGB3 (0.58) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL5712178 | 0.85 | PABPC1 (0.49) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL6679774 | 0.82 | ITGB3 (0.51) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL6680751 | 0.81 | KLK5 (0.46) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL27278646 | 0.81 | KLK5 (0.54) | ITGB3ITGA2BITGB1ITGAVITGB5 | |
| SCHEMBL6676314 | 0.80 | NAMPT (0.51) | CA1CA2NPSR1 | |
| SCHEMBL2728823 | 0.80 | PPARG (0.58) | ITGB3ITGA2BKLK5CTSSCTSK | |
| SCHEMBL6676210 | 0.80 | ALDH1A1 (0.53) | ITGB3ITGA2BITGAVCA12CA1 | |
| SCHEMBL22427549 | 0.80 | KLK5 (0.53) | ITGB3ITGA2BITGB1ITGAVITGB5 |
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 |