Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676186 | 0.82 | ESR1 (0.47) | ESR1ESR2NR1H3NR1H2CYP3A4 | |
| SCHEMBL10626656 | 0.78 | ESR1 (0.56) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL6676243 | 0.78 | NR1H3 (0.57) | ESR1NR1H3NR1H2GRM1GRM4 | |
| SCHEMBL14008631 | 0.78 | TP53 (0.41) | ESR1ESR2CA1CA2 | |
| SCHEMBL6678239 | 0.76 | ESR1 (0.53) | ESR1ESR2NR1H3NR1H2CYP3A4 | |
| SCHEMBL30273429 | 0.76 | MEN1 (0.53) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL5924351 | 0.76 | CYP3A4 (0.66) | ESR1ESR2NR1H3NR1H2CYP3A4 | |
| SCHEMBL7729256 | 0.76 | MEN1 (0.53) | ESR1ESR2CYP3A4NFKB1PMP22 | |
| SCHEMBL30273450 | 0.76 | ESR1 (0.53) | ESR1ESR2NR1H3NR1H2CYP3A4 | |
| SCHEMBL6623565 | 0.76 | ALPL (0.39) | NR1H3NR1H2GRM5 |
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 4 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 |
| CN-1075808-C | Aniline derivatives having nitric oxide synthase inhibitory activity | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2001-12-05 | — | — | CN | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |