Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.51 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GRM8 | O00222 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30273450 | 1.00 | ESR1 (0.53) | ESR1ESR2ADCY2GRM1GRM4 | |
| SCHEMBL10626656 | 0.82 | ESR1 (0.56) | ESR1ESR2GRM1GRM4SCN2A | |
| SCHEMBL28665183 | 0.82 | ESR1 (0.56) | ESR1ESR2GRM1GRM4NR1H3 | |
| SCHEMBL14339993 | 0.79 | CA1 (0.47) | ESR1ESR2ADCY2GRM1GRM4 | |
| SCHEMBL7729256 | 0.79 | MEN1 (0.53) | ESR1ESR2GRM1GRM4SCN2A | |
| SCHEMBL30273429 | 0.79 | MEN1 (0.53) | ESR1ESR2GRM1GRM4SCN2A | |
| SCHEMBL5924351 | 0.79 | CYP3A4 (0.66) | ESR1ESR2GRM1GRM4NR1H3 | |
| SCHEMBL15199351 | 0.79 | CA1 (0.43) | ESR1ESR2ADCY2GRM1GRM4 | |
| SCHEMBL7514060 | 0.79 | MEN1 (0.49) | ESR1ESR2NR1H3SCN2ACYP3A4 | |
| SCHEMBL3106326 | 0.79 | SCN2A (0.68) | ESR1ESR2GRM1GRM4NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115701423-A | Preparation method of trifluoroethyl sulfide (sulfoxide) substituted benzene compound and intermediate thereof | 沈阳化工大学 | 2023-02-10 | — | — | 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 |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |