Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EEF2K | O00418 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2163400 | 1.00 | TSHR (0.50) | TSHRCES2CES1CYP3A4IDO1 | |
| SCHEMBL13937393 | 0.84 | TSHR (0.61) | TSHRGAAALDH1A1MEN1KMT2A | |
| SCHEMBL27263318 | 0.83 | CES2 (0.47) | TSHRCES2CES1GAAALDH1A1 | |
| SCHEMBL1199403 | 0.80 | HTR1A (0.41) | TSHRALDH1A1MEN1KMT2ASLC6A2 | |
| SCHEMBL8943608 | 0.78 | CES2 (0.48) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL10548284 | 0.78 | CES2 (0.44) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL29413776 | 0.78 | CES2 (0.44) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL7199994 | 0.78 | CES2 (0.44) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL11305915 | 0.76 | CXCL8 (0.38) | TSHRCES2CES1SLC6A2SLC6A4 | |
| SCHEMBL11602791 | 0.76 | CES2 (0.54) | CES2CES1CYP3A4IDO1TDO2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465929-B1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2015-12-02 | — | — | EP | disclosed |
| US-8846366-B2 | R-hydroxynitrile lyase (R-HNL) random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2014-09-30 | — | — | US | disclosed |
| EP-2092060-B1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2014-01-22 | — | — | EP | disclosed |
| EP-2465929-A1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP Assets B.V. (NL) | 2012-06-20 | — | — | EP | disclosed |
| US-20100143986-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2010-06-10 | — | — | US | disclosed |
| EP-2092060-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSMIP Assets B.V. (NL) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008071695-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2008-06-19 | — | — | WO | disclosed |
| CN-1243879-A | Chiral cyanohydrin compound and its derivatives and preparing process | SHANGHAI INST ORGANIC CHEM (CN) | 2000-02-09 | — | — | CN | disclosed |