Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7262891 | 0.95 | CES2 (0.49) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL2453510 | 0.84 | TSHR (0.52) | KMT2AMEN1ALDH1A1MAPTPOLB | |
| SCHEMBL8964823 | 0.84 | TSHR (0.52) | KMT2AMEN1ALDH1A1MAPTPOLB | |
| SCHEMBL8965076 | 0.81 | ALDH1A1 (0.51) | KMT2AMEN1ALDH1A1MAPTTDP1 | |
| SCHEMBL1142464 | 0.79 | CES1 (0.53) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL8964973 | 0.78 | MAPT (0.60) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL14662793 | 0.77 | MEN1 (0.63) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL19926029 | 0.76 | CES1 (0.53) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL16398922 | 0.75 | KMT2A (0.57) | CES1CES2KMT2AMEN1ALDH1A1 | |
| SCHEMBL7239333 | 0.74 | TP53 (0.45) | KMT2AMEN1ALDH1A1POLBESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5493047-A | REACTING OPTICALLY ACTIVE CYANOHYDRIN WITH CARBOXYLIC ACID IN PRESENCE OF DIALKYL AZODICARBOXYLATE AND TRIPHENYLPHOSPHINE TO FORM ESTER OF OPPOSITE CONFIGURATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1996-02-20 | — | — | US | disclosed |
| EP-0601237-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |
| EP-0601632-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |