Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 3/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676112 | 0.87 | NAMPT (0.54) | AKT1NAMPTCA2CA1CTSK | |
| SCHEMBL6676657 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C19AKT1NAMPTCA2 | |
| SCHEMBL6685803 | 0.86 | ALDH1A1 (0.41) | CYP3A4CYP2C19CA2CA1KDM4E | |
| SCHEMBL6675938 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C19AKT1NAMPTCA2 | |
| SCHEMBL6678215 | 0.84 | PTGES (0.41) | CYP3A4CYP2C19AKT1CA2CA1 | |
| SCHEMBL6687607 | 0.82 | IDO1 (0.44) | CYP3A4CYP2C19NAMPTCA2CA1 | |
| SCHEMBL6676258 | 0.82 | CA1 (0.43) | AKT1NAMPTCA2CA1NQO2 | |
| SCHEMBL6679114 | 0.82 | SENP1 (0.48) | MAPK1NPFFR1NPFFR2NR1H4 | |
| SCHEMBL7248116 | 0.81 | CA1 (0.43) | NAMPTCA2CA1NQO2 | |
| SCHEMBL7247586 | 0.81 | CA1 (0.43) | NAMPTCA2CA1NQO2KDM4E |
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 |