Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 6/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939749 | 0.72 | NISCH (0.41) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| SCHEMBL6937112 | 0.71 | CYP3A4 (0.38) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| Hydrochloric Acid SCHEMBL7862232 | 0.71 | NISCH (0.40) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| Hydrochloric Acid SCHEMBL7868726 | 0.70 | CYP3A4 (0.37) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| SCHEMBL20850042 | 0.67 | — | — | |
| SCHEMBL11642341 | 0.64 | NISCH (0.44) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| SCHEMBL31395161 | 0.63 | NOS3 (0.34) | NOS3NOS1NOS2 | |
| SCHEMBL6940101 | 0.61 | NISCH (1.00) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| Rilmenidine SCHEMBL15516636 | 0.60 | ADRA2A (1.00) | NISCHADRA2AADRA2BCYP3A4GMNN | |
| SCHEMBL6942024 | 0.60 | NISCH (1.00) | NISCHADRA2AADRA2BNOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1101756-B1 | Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them | SERVIER LAB (FR) | 2003-03-19 | — | — | EP | disclosed |
| EP-1101756-A1 | Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 2001-05-23 | — | — | EP | disclosed |