Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17846861 | 0.78 | ESR1 (0.52) | EPHX2PPARGCA12CA1CA2 | |
| SCHEMBL17846977 | 0.78 | ESR1 (0.52) | EPHX2PPARGCA12CA1CA2 | |
| SCHEMBL28219731 | 0.78 | ALDH1A1 (0.44) | EPHX2PPARGCA12CA1CA2 | |
| SCHEMBL8437061 | 0.77 | EPHX2 (0.49) | EPHX2PPARGMMP8PIN1MEN1 | |
| SCHEMBL2554506 | 0.77 | EPHX2 (0.49) | EPHX2PPARGMMP8CYP1A2NPC1 | |
| SCHEMBL14874334 | 0.77 | EPHX2 (0.40) | EPHX2PPARGMMP8NLRP3TSHR | |
| SCHEMBL7064652 | 0.77 | GABRA1 (0.83) | GABRA1GABRB2CA1CA2CYP1A2 | |
| SCHEMBL5599031 | 0.77 | ALOX5 (0.43) | GABRA1GABRB2PPARG | |
| SCHEMBL2303443 | 0.76 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28362502 | 0.76 | TSHR (0.61) | EPHX2PPARGMMP8MEN1NPC1 |
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-106928125-A | A kind of Ai Le replaces the preparation method of Buddhist nun's intermediate | 湖南博奥德生物医药技术开发有限公司 | 2017-07-07 | — | — | CN | disclosed |