Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30273429 | 1.00 | MEN1 (0.53) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL11826010 | 0.89 | MEN1 (0.46) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL7733754 | 0.85 | ESR1 (0.56) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL10626656 | 0.82 | ESR1 (0.56) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL10421175 | 0.81 | CA1 (0.44) | KMT2AESR1ESR2GRM1CA1 | |
| SCHEMBL19707985 | 0.80 | CA1 (0.43) | MEN1KMT2AESR1ESR2CA1 | |
| SCHEMBL5924351 | 0.79 | CYP3A4 (0.66) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL5391799 | 0.79 | CYP3A4 (0.61) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL6678239 | 0.79 | ESR1 (0.53) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL30273450 | 0.79 | ESR1 (0.53) | MEN1KMT2ACYP3A4NFKB1PMP22 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-6365753-B1 | EXCELLENT PREFERENTIAL EFFECTS ON WEEDS; GRASSES; NONPHYTOTOXIC TO CROPS E.G. WHEAT; BARLEY; CORN | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-04-02 | — | — | US | disclosed |
| EP-1097923-A1 | PHTHALIMIDES AND HERBICIDE CONTAINING THE SAME AS ACTIVE COMPONENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-05-09 | — | — | EP | disclosed |