Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3241413 | 0.98 | OPRM1 (0.50) | OPRM1OPRL1ALDH1A1TSHRSLC6A2 | |
| SCHEMBL3239387 | 0.83 | ALDH1A1 (0.46) | OPRM1OPRL1ALDH1A1TSHRAOC3 | |
| SCHEMBL24738201 | 0.82 | OPRM1 (0.44) | OPRM1OPRL1ALDH1A1TSHRSLC6A2 | |
| SCHEMBL13600125 | 0.81 | OPRM1 (0.43) | OPRM1OPRL1ALDH1A1TSHRAOC3 | |
| SCHEMBL5674633 | 0.80 | OPRM1 (0.57) | OPRM1OPRL1ALDH1A1TSHRLMNA | |
| SCHEMBL9260990 | 0.79 | OPRM1 (0.42) | OPRM1OPRL1ALDH1A1TSHRAOC3 | |
| SCHEMBL9260981 | 0.79 | OPRM1 (0.42) | OPRM1OPRL1ALDH1A1TSHRAOC3 | |
| SCHEMBL11348690 | 0.77 | OPRM1 (0.53) | OPRM1OPRL1ALDH1A1TSHRSLC6A2 | |
| SCHEMBL9278699 | 0.77 | OPRM1 (0.53) | OPRM1OPRL1ALDH1A1TSHRSLC6A2 | |
| SCHEMBL4446952 | 0.76 | CTSS (0.41) | OPRM1OPRL1ALDH1A1NAAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102731236-B | Alpha-amino cyclo nitrile compound preparation method | CHONGQING UNISPLENDOUR CHEM CO | 2014-07-16 | — | — | CN | claimed |
| CN-102731236-A | Alpha-amino cyclo nitrile compound preparation method | CHONGQING UNISPLENDOUR CHEM CO | 2012-10-17 | — | — | CN | claimed |
| CN-102731236-B | Alpha-amino cyclo nitrile compound preparation method | CHONGQING UNISPLENDOUR CHEM CO | 2014-07-16 | — | — | CN | disclosed |
| CN-102731236-A | Alpha-amino cyclo nitrile compound preparation method | CHONGQING UNISPLENDOUR CHEM CO | 2012-10-17 | — | — | CN | disclosed |