Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6687607 | 0.89 | IDO1 (0.44) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL7243630 | 0.87 | ALDH1A1 (0.42) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL6681934 | 0.85 | ALDH1A1 (0.42) | NQO2NAMPTIDO1ALDH1A1GAA | |
| SCHEMBL6681072 | 0.83 | NQO2 (0.40) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL6676112 | 0.83 | NAMPT (0.54) | NAMPTCA1CA2NR1H4PTPN11 | |
| SCHEMBL6688945 | 0.81 | CYP3A4 (0.46) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL6680791 | 0.80 | NQO2 (0.44) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL27493607 | 0.80 | NQO2 (0.44) | NQO2NAMPTIDO1CA1CA2 | |
| SCHEMBL7248116 | 0.80 | CA1 (0.43) | NQO2NAMPTCA1CA2MEN1 | |
| SCHEMBL6675303 | 0.79 | NQO2 (0.40) | NQO2ALDH1A1KMT2AKDM4ESMN1; SMN2 |
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 |