Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 11/20 | 0.62 |
| ▸ | CA1 | P00915 | 11/20 | 0.62 |
| ▸ | CA2 | P00918 | 11/20 | 0.62 |
| ▸ | CA12 | O43570 | 10/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | PKM | P14618 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.54 |
| ▸ | CA5A | P35218 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1082403 | 0.83 | CA12 (0.77) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL30380602 | 0.83 | CYP2D6 (0.68) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL14628032 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL27681903 | 0.81 | CA12 (0.75) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL27843904 | 0.81 | CA12 (0.75) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL8761233 | 0.81 | CA12 (0.75) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL27661888 | 0.81 | CA12 (0.75) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL30380384 | 0.81 | CYP2D6 (0.66) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL11520559 | 0.81 | CYP2D6 (0.81) | CYP3A4CYP2D6CA9CA1CA2 | |
| SCHEMBL11682917 | 0.81 | CYP2D6 (0.81) | CYP3A4CYP2D6CA9CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114369045-B | Fluorine-containing alkylthio substituted olefin derivative and synthesis method thereof | 中国科学院大连化学物理研究所 | 2022-10-21 | — | — | CN | disclosed |
| CN-114369045-A | Fluorine-containing alkylthio substituted olefin derivative and synthesis method thereof | 中国科学院大连化学物理研究所 | 2022-04-19 | — | — | CN | disclosed |