Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3068695 | 0.81 | CYP3A4 (0.52) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL6675643 | 0.81 | CYP3A4 (0.49) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL27405437 | 0.80 | NAMPT (0.49) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL3351731 | 0.80 | NQO2 (0.49) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL6677585 | 0.79 | BACE1 (0.40) | CA2CA1LMNACA12CA9 | |
| SCHEMBL6674498 | 0.77 | NQO2 (0.53) | CA2CA1NQO2NAMPTIDO1 | |
| SCHEMBL25834083 | 0.77 | KDM4E (0.63) | NQO2CYP3A4CYP2C19MAPK1CYP1A2 | |
| SCHEMBL6676657 | 0.77 | CYP3A4 (0.47) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL6675938 | 0.77 | CYP3A4 (0.47) | CA2CA1NQO2CYP3A4CYP2C19 | |
| SCHEMBL6688945 | 0.76 | CYP3A4 (0.46) | CA2CA1NQO2CYP3A4CYP2C19 |
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 |