Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30075720 | 0.95 | MAOA (0.47) | ARPDK2CNR2CYP2C8CYP2D6 | |
| SCHEMBL13695438 | 0.84 | ACHE (0.47) | ARPDK2CNR2CYP2C8CYP2D6 | |
| SCHEMBL28149641 | 0.80 | PDK2 (0.45) | ARPDK2MAOAMAOBKMT2A | |
| SCHEMBL9891844 | 0.80 | CNR2 (0.45) | ARCNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL9892989 | 0.79 | FPR1 (0.44) | ARCNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL24824101 | 0.78 | HRH3 (0.49) | ARPDK2MAOAMAOBMAPT | |
| SCHEMBL18786266 | 0.78 | HRH3 (0.49) | ARPDK2MAOAMAOBMAPT | |
| SCHEMBL13695428 | 0.78 | PDK2 (0.41) | ARPDK2CNR2CYP2C8CYP2D6 | |
| SCHEMBL5633089 | 0.77 | TRPV4 (0.53) | MAPK1NOTUM | |
| SCHEMBL5630781 | 0.77 | TRPV4 (0.53) | MAPK1NOTUM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |