Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3936768 | 1.00 | ALOX5 (0.40) | ALOX5HSD17B2CTSCCES2CES1 | |
| SCHEMBL5848158 | 1.00 | ALOX5 (0.40) | ALOX5HSD17B2CTSCCES2CES1 | |
| SCHEMBL6453628 | 0.79 | HSD17B2 (0.42) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL3895136 | 0.77 | ALOX5 (0.40) | ALOX5HSD17B2CTSCCES2CES1 | |
| SCHEMBL3898507 | 0.75 | CACNA2D1 (0.47) | ALOX5HSD17B2CACNA2D1POLBLMNA | |
| SCHEMBL3898505 | 0.75 | CACNA2D1 (0.47) | ALOX5HSD17B2CACNA2D1POLBLMNA | |
| SCHEMBL7552631 | 0.75 | PABPC1 (0.50) | ALDH1A1TDP1CTSLCTSSCTSK | |
| SCHEMBL2208580 | 0.75 | PABPC1 (0.50) | ALDH1A1TDP1CTSLCTSSCTSK | |
| SCHEMBL14033294 | 0.74 | ALOX5 (0.45) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL5915001 | 0.73 | CACNA2D1 (0.38) | ALOX5HSD17B2CES2CES1KEAP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7045341-B2 | Chemoenzymatic process for stereoselective preparation of R and S enatiomers of 2-hydroxy-3-(2-thienyl) propanenitrile | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-05-16 | — | — | US | claimed |
| EP-1573018-B1 | CHEMOENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF R- AND S-ENANTIOMERS OF 2-HYDROXY-3-(2-THIENYL) PROPANENITRILE | COUNCIL SCIENT IND RES (IN) | 2009-04-15 | — | — | EP | disclosed |
| EP-1573018-B1 | CHEMOENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF R- AND S-ENANTIOMERS OF 2-HYDROXY-3-(2-THIENYL) PROPANENITRILE | COUNCIL SCIENT IND RES (IN) | 2009-04-15 | — | — | EP | disclosed |
| US-7045341-B2 | Chemoenzymatic process for stereoselective preparation of R and S enatiomers of 2-hydroxy-3-(2-thienyl) propanenitrile | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-05-16 | — | — | US | disclosed |
| EP-1573018-A1 | CHEMOENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF R- AND S-ENANTIOMERS OF 2-HYDROXY-3-(2-THIENYL) PROPANENITRILE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2005-09-14 | — | — | EP | disclosed |
| US-20040185540-A1 | Chemoenzymatic process for stereoselective preparation of R and S enatiomers of 2-hydroxy-3-(2-thienyl) propanenitrile | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2004-09-23 | — | — | US | disclosed |
| WO-2004055194-A1 | CHEMOENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF R AND S ENATIOMERS OF 2-HYDROXY-3-(2-THIENYL) PROPANENITRILE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-07-01 | — | — | WO | disclosed |