Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 7/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23137319 | 0.89 | CYP3A4 (0.90) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL8872306 | 0.86 | CYP3A4 (0.94) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL29365311 | 0.86 | CYP3A4 (0.94) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL49382 | 0.86 | CYP3A4 (0.94) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL2571374 | 0.84 | CYP3A4 (1.00) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL29368557 | 0.84 | CYP3A4 (1.00) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| Methane SCHEMBL27949876 | 0.84 | CYP3A4 (0.90) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL30242948 | 0.84 | CYP3A4 (1.00) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL864592 | 0.84 | CYP3A4 (1.00) | ESR2CYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL9348747 | 0.83 | CYP3A4 (0.74) | ESR2CYP3A4TSHRALDH1A1MAPK1 |
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-104876864-B | A kind of pleasure cuts down the preparation method for Buddhist nun | 北京康立生医药技术开发有限公司 | 2017-03-08 | — | — | CN | disclosed |