Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL925856 | 0.75 | CYP3A4 (0.46) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL10498281 | 0.73 | SMN1; SMN2 (0.41) | CYP3A4PKMKMT2AMAPK1ALDH1A1 | |
| SCHEMBL34540 | 0.71 | CYP3A4 (0.58) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL125522 | 0.71 | CYP3A4 (0.58) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL29436321 | 0.71 | CYP3A4 (0.58) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL1178110 | 0.71 | EPHX1 (0.45) | ALDH1A1KDM4ELMNAEPHX1 | |
| SCHEMBL28990933 | 0.69 | CYP3A4 (0.43) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL28990945 | 0.69 | TSHR (0.42) | CYP3A4TSHRCA12CA1CA2 | |
| SCHEMBL1100943 | 0.69 | CYP3A4 (0.55) | CYP3A4CASP1RECQLKMT2ATSHR | |
| SCHEMBL13591730 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108658816-B | N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides | 拜尔农作物科学股份公司 | 2023-05-02 | — | — | CN | disclosed |