Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964999 | 0.81 | LMNA (0.45) | ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL29249014 | 0.79 | UTS2R (0.46) | — | |
| SCHEMBL22293378 | 0.78 | TSHR (0.62) | TSHRPOLBMAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL18671086 | 0.78 | TSHR (0.67) | TSHRMAPK1ALDH1A1L3MBTL1PAM | |
| SCHEMBL10580667 | 0.77 | TSHR (0.60) | TSHRPOLBMAPK1ALDH1A1L3MBTL1 | |
| Benzene SCHEMBL8964846 | 0.76 | SLC6A3 (0.34) | TSHRPOLBALDH1A1HDAC1HDAC2 | |
| SCHEMBL28066986 | 0.76 | TSHR (0.58) | TSHRPOLBMAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL5597532 | 0.75 | TSHR (0.57) | TSHRMAPK1ALDH1A1L3MBTL1PAM | |
| SCHEMBL28853105 | 0.75 | TSHR (0.57) | TSHRPOLBMAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL15084198 | 0.75 | TSHR (0.57) | TSHRPOLBMAPK1ALDH1A1L3MBTL1 |
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 |