Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29457644 | 0.84 | AHR (0.36) | ALDH1A1CNR1 | |
| SCHEMBL29457606 | 0.82 | ADRB2 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL29457608 | 0.82 | SLC6A3 (0.35) | FAAHMAPK1 | |
| SCHEMBL29457625 | 0.81 | POLB (0.38) | ALDH1A1MAPT | |
| SCHEMBL29510607 | 0.79 | CYP17A1 (0.41) | CYP17A1CYP2D6CYP2C19TSHR | |
| SCHEMBL29457628 | 0.78 | PDE2A (0.40) | CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL29457673 | 0.77 | UGT2B7 (0.44) | CYP1A2CYP2D6TSHR | |
| SCHEMBL29457650 | 0.73 | NOS2 (0.31) | ALDH1A1CNR1 | |
| SCHEMBL18473596 | 0.72 | MMP13 (0.41) | CYP17A1FAAHCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29118770 | 0.72 | NR5A1 (0.42) | FAAHGAAMAPTTSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022074177-A1 | DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION | Technische Universität Berlin (DE) | 2022-04-14 | — | — | WO | disclosed |
| EP-3981773-A1 | DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION | Technische Universität Berlin (DE) | 2022-04-13 | — | — | EP | disclosed |