Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5560988 | 0.88 | AURKA (0.52) | CA2CA1NAMPTALDH1A1CYP1A2 | |
| SCHEMBL2876045 | 0.85 | NAMPT (0.60) | CA2CA1NAMPTALDH1A1MAPT | |
| SCHEMBL3351731 | 0.85 | NQO2 (0.49) | CYP3A4CYP2C19CA2CA1AKT1 | |
| SCHEMBL6676657 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C19CA2CA1AKT1 | |
| SCHEMBL3068695 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C19CA2CA1AKT1 | |
| SCHEMBL6680723 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C19CA2CA1AKT1 | |
| SCHEMBL7238875 | 0.81 | AURKA (0.42) | CA2CA1NAMPTALDH1A1NQO2 | |
| SCHEMBL6676121 | 0.81 | CA1 (0.46) | CA2CA1NAMPTALDH1A1NQO2 | |
| SCHEMBL27405437 | 0.81 | NAMPT (0.49) | CYP3A4CYP2C19CA2CA1AKT1 | |
| SCHEMBL6676208 | 0.81 | CA2 (0.49) | CYP3A4CYP2C19CA2CA1AKT1 |
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 |