Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL11025357 | 0.81 | TSHR (0.56) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8964976 | 0.81 | TSHR (0.56) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| Benzene SCHEMBL8965117 | 0.78 | L3MBTL1 (0.44) | L3MBTL1SMN1; SMN2MIFCTSLALDH1A1 | |
| SCHEMBL7187367 | 0.76 | KMT2A (0.42) | L3MBTL1SMN1; SMN2CTSLALDH1A1KMT2A | |
| SCHEMBL5597532 | 0.73 | TSHR (0.57) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL18671086 | 0.73 | TSHR (0.67) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8964825 | 0.70 | KLK7 (0.59) | TSHRL3MBTL1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL10780199 | 0.70 | TSHR (0.57) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL1200602 | 0.70 | TSHR (0.45) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8964840 | 0.69 | TSHR (0.55) | TSHRL3MBTL1SMN1; SMN2ALDH1A1MAPK1 |
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 2 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-0601632-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |