Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1299722 | 0.86 | CYP3A4 (0.52) | TAAR1CYP3A4TSHRCA1CA2 | |
| SCHEMBL14085077 | 0.84 | CYP3A4 (0.54) | CYP3A4TSHRCA1CA2PNMT | |
| SCHEMBL3787093 | 0.83 | CYP3A4 (0.48) | TAAR1CYP3A4TSHRCA1CA2 | |
| SCHEMBL11292184 | 0.83 | CYP3A4 (0.48) | TAAR1CYP3A4TSHRCA1CA2 | |
| SCHEMBL29362177 | 0.83 | CA1 (0.48) | TAAR1CYP3A4TSHRCA1CA2 | |
| SCHEMBL1625228 | 0.83 | CA1 (0.48) | TAAR1CYP3A4TSHRCA1CA2 | |
| SCHEMBL473578 | 0.82 | IDO1 (0.56) | TAAR1CYP3A4TSHRMAOB | |
| SCHEMBL29787088 | 0.82 | IDO1 (0.56) | TAAR1CYP3A4TSHRMAOB | |
| SCHEMBL31175763 | 0.81 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL352023 | 0.81 | CYP3A4 (0.56) | CYP3A4TSHRCA1CA2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979893-B | N-hydroxy formamidine derivative, preparation method and application | 中国药科大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-113979893-A | N-hydroxyformamidine derivative, preparation method and application | 中国药科大学 | 2022-01-28 | — | — | CN | disclosed |
| 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 |
| CN-1075808-C | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2001-12-05 | — | — | CN | disclosed |
| CN-1310169-A | Anils with nitric oxide synzyme inhibiting function | SHUGAI SEIYAKU K K (JP) | 2001-08-29 | — | — | CN | disclosed |
| CN-1172473-A | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1998-02-04 | — | — | CN | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |