Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 10/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11025357 | 0.87 | TSHR (0.56) | KLK7L3MBTL1ALDH1A1SMN1; SMN2CNR2 | |
| SCHEMBL8964976 | 0.87 | TSHR (0.56) | KLK7L3MBTL1ALDH1A1SMN1; SMN2CNR2 | |
| SCHEMBL8964973 | 0.80 | MAPT (0.60) | ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL8965076 | 0.80 | ALDH1A1 (0.51) | TDP1L3MBTL1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL8965028 | 0.77 | TSHR (0.46) | TDP1L3MBTL1ALDH1A1SMN1; SMN2USP2 | |
| SCHEMBL27836917 | 0.77 | TSHR (0.40) | TDP1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL11159736 | 0.77 | LTA4H (0.41) | KLK7TDP1ALDH1A1TSHR | |
| SCHEMBL11436663 | 0.76 | ALDH1A1 (0.49) | KLK7TDP1ALDH1A1TSHR | |
| SCHEMBL11513376 | 0.76 | ALDH1A1 (0.47) | KLK7TDP1ALDH1A1TSHR | |
| SCHEMBL10992713 | 0.75 | ALDH1A1 (0.43) | TDP1ALDH1A1TSHR |
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 |