Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL157976 | 0.88 | TRPA1 (0.64) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30582486 | 0.88 | TRPA1 (0.64) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL71042 | 0.88 | HSD17B10 (0.63) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27704410 | 0.85 | ESR1 (0.53) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL744471 | 0.82 | IDH1 (0.68) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6249245 | 0.77 | CYP3A4 (0.57) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11143328 | 0.77 | CYP3A4 (0.53) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10827100 | 0.77 | CYP3A4 (0.45) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10826441 | 0.77 | ALOX5 (0.47) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL631374 | 0.76 | CNR1 (0.64) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 |
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-104803957-A | Benzylic glycoside derivatives and methods of use | THERACOS INC | 2015-07-29 | — | — | CN | disclosed |