Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | PTPRB | P23467 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL7240772 | 0.86 | ITGB3 (0.49) | ALDH1A1NOS3NOS1NOS2ITGB3 | |
| Hydrochloric Acid SCHEMBL6678238 | 0.85 | ITGB3 (0.48) | ALDH1A1NOS3NOS1NOS2ITGB3 | |
| SCHEMBL6680756 | 0.80 | ITGB3 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL5712137 | 0.79 | DPP7 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6754491 | 0.78 | DPP7 (0.41) | ALDH1A1 | |
| SCHEMBL6675651 | 0.78 | GRIN2D (0.38) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6676206 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LTA4HCA12CA1CA2 | |
| SCHEMBL11563068 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LTA4HCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL6681329 | 0.77 | GRIN2D (0.37) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL15080944 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LTA4HCA12CA1CA2 |
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 |