Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5125807 | 0.85 | CYP2D6 (0.37) | CYP2D6CYP1A2KDM1ABCHELMNA | |
| SCHEMBL5226012 | 0.85 | — | — | |
| SCHEMBL5221409 | 0.78 | OPRM1 (0.37) | CHRM1OPRM1KCNH2OPRK1 | |
| SCHEMBL5504478 | 0.78 | CYP2D6 (0.41) | CYP2D6CYP1A2KDM1ABCHEMEN1 | |
| SCHEMBL5508467 | 0.75 | CHRM2 (0.43) | CYP2D6CYP1A2KDM1ABCHELMNA | |
| SCHEMBL5114413 | 0.73 | HTR2C (0.33) | KDM1AHTR2AHTR2C | |
| SCHEMBL3183436 | 0.73 | KDM1A (0.34) | CYP2D6CYP1A2KDM1AMEN1KMT2A | |
| SCHEMBL9611568 | 0.71 | CYP2D6 (0.55) | CYP2D6CYP1A2KDM1ABCHEMEN1 | |
| SCHEMBL3173269 | 0.69 | KDM1A (0.30) | KDM1A | |
| SCHEMBL5507880 | 0.69 | PIM1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1846400-A2 | TRICYCLIC DELTA-OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-24 | — | — | EP | claimed |
| WO-2006074388-A2 | TRICYCLIC δ-OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-07-13 | — | — | WO | claimed |
| EP-1846400-A2 | TRICYCLIC DELTA-OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006074388-A2 | TRICYCLIC δ-OPIOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-07-13 | — | — | WO | disclosed |