Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7825330 | 1.00 | TRPA1 (0.37) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL9298473 | 1.00 | TRPA1 (0.37) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL1200657 | 0.83 | TRPA1 (0.35) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL6491522 | 0.83 | CYP19A1 (0.41) | ALDH1A1GAAKDM4E | |
| SCHEMBL10542935 | 0.83 | ATM (0.33) | L3MBTL1ATMAOC3RIPK1 | |
| SCHEMBL9297323 | 0.82 | ALDH1A1 (0.43) | TSHRL3MBTL1ALDH1A1GAANPC1 | |
| SCHEMBL3295316 | 0.82 | TRPA1 (0.42) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL2610138 | 0.82 | TRPA1 (0.42) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL9297144 | 0.81 | TRPA1 (0.36) | TRPA1TSHRL3MBTL1ALDH1A1GAA | |
| SCHEMBL6182661 | 0.81 | SLC6A4 (0.33) | HTT |
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 |