Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MARK3 | P27448 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1150381 | 0.71 | OPRL1 (0.57) | ALDH1A1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL1149632 | 0.70 | ALDH1A1 (0.48) | ALDH1A1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL8417927 | 0.67 | BBOX1 (0.47) | ALDH1A1NPSR1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL9212583 | 0.66 | ALDH1A1 (1.00) | ALDH1A1NPSR1KMT2AMEN1GFER | |
| SCHEMBL5769747 | 0.60 | ALDH1A1 (0.52) | ALDH1A1OPRM1OPRL1OPRD1NPSR1 | |
| SCHEMBL11586443 | 0.60 | KMT2A (0.44) | ALDH1A1KMT2AMEN1SMN1; SMN2CYP2C9 | |
| SCHEMBL7340192 | 0.60 | PDE3B (0.53) | ALDH1A1OPRM1OPRL1NPSR1OPRK1 | |
| SCHEMBL2257091 | 0.60 | DRD2 (0.61) | ALDH1A1OPRM1OPRL1OPRD1NPSR1 | |
| SCHEMBL15131577 | 0.60 | NPSR1 (0.59) | ALDH1A1OPRM1OPRL1NPSR1OPRK1 | |
| SCHEMBL14693859 | 0.59 | SLC18A3 (0.38) | ALDH1A1OPRM1OPRL1OPRD1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101970437-B | Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2013-04-03 | — | — | CN | disclosed |
| CN-101970437-A | Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2011-02-09 | — | — | CN | disclosed |