Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | PARL | Q9H300 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29234939 | 0.93 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP2C19MMP2 | |
| SCHEMBL27529690 | 0.84 | CA1 (0.35) | CYP2C9CYP3A4CYP2D6CYP2C19MMP2 | |
| SCHEMBL28461319 | 0.84 | CA1 (0.49) | CYP2C19MMP2PKMKMT2AMEN1 | |
| SCHEMBL28461353 | 0.82 | CA1 (0.47) | CYP2C19MMP2PKMKMT2AMEN1 | |
| SCHEMBL27343641 | 0.80 | CA1 (0.44) | CYP2D6MMP2KDM4EMAPTTSHR | |
| SCHEMBL3830427 | 0.79 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2D6CYP2C19MMP2 | |
| SCHEMBL10742021 | 0.73 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2D6CYP2C19MMP2 | |
| SCHEMBL28950241 | 0.72 | CA1 (0.40) | CYP2C9CYP3A4CYP2D6CYP2C19MMP2 | |
| SCHEMBL2792988 | 0.71 | CYP2C9 (0.61) | CYP2C9CYP2D6MMP2PARLPKM | |
| SCHEMBL26926379 | 0.70 | — | — |
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-114854160-A | Conductive hydrogel based on water-soluble polypyrrole and preparation method thereof | 山东大学 | 2022-08-05 | — | — | CN | claimed |
| CN-109153646-B | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-105315542-B | Polyolefin resin molded product, method of manufacturing the same, and air duct using the same | 现代自动车株式会社 | 2020-01-14 | — | — | CN | disclosed |