Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL7241354 | 0.87 | IDO1 (0.46) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL7244827 | 0.86 | NQO2 (0.43) | NQO2IDO1CA1CA2HTT | |
| SCHEMBL2876047 | 0.81 | CA2 (0.51) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL6675032 | 0.80 | NQO2 (0.49) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL6681075 | 0.79 | NQO2 (0.39) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL6681893 | 0.78 | CA2 (0.43) | NQO2CA1CA2MAPTGAA | |
| SCHEMBL2552330 | 0.77 | AAK1 (0.50) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL6680791 | 0.76 | NQO2 (0.44) | NQO2IDO1CA1CA2CA12 | |
| SCHEMBL7247260 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4ESMN1; SMN2TP53NPSR1 | |
| SCHEMBL27493607 | 0.74 | NQO2 (0.44) | NQO2IDO1CA1CA2CA12 |
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 |