Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL233807 | 0.90 | CA1 (0.58) | CA1CA2CA9CA7CA12 | |
| SCHEMBL2895268 | 0.84 | ACHE (0.48) | CA1CA2CA9ACHEALDH1A1 | |
| SCHEMBL11236855 | 0.82 | HPGD (0.42) | CA1CA2CA9ALDH1A1CYP2A6 | |
| SCHEMBL673284 | 0.81 | CA4 (0.46) | CA1CA2CA9PKMCES2 | |
| SCHEMBL28946021 | 0.79 | CA4 (0.44) | CA1CA2CA9PKMCES2 | |
| Water SCHEMBL7651793 | 0.79 | CA4 (0.44) | CA1CA2CA9PKMCES2 | |
| SCHEMBL28946041 | 0.79 | CA4 (0.44) | CA1CA2CA9PKMCES2 | |
| SCHEMBL28946013 | 0.79 | CA4 (0.44) | CA1CA2CA9PKMCES2 | |
| SCHEMBL28946015 | 0.79 | CA4 (0.44) | CA1CA2CA9PKMCES2 | |
| SCHEMBL8628169 | 0.77 | PTGS2 (0.47) | PKM |
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-104926871-B | O, O dialkyl group α [formoxyl of 3 bromine 1 (pyridine radicals of 3 chlorine 2) 1H pyrazoles 5) alkyl methylphosphonic acid ester derivant and preparation method and application | 西安近代化学研究所 | 2017-08-11 | — | — | CN | disclosed |