Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL21061300 | 0.88 | CYP2D6 (0.37) | CYP2D6TSHROPRM1OPRL1CCR8 | |
| SCHEMBL21061290 | 0.86 | NPSR1 (0.40) | TSHROPRM1OPRL1KCNA3GAA | |
| SCHEMBL21061257 | 0.85 | ALDH1A1 (0.41) | OPRM1OPRL1MEN1KMT2AGAA | |
| SCHEMBL21102447 | 0.84 | SLC6A4 (0.49) | CYP2D6TSHROPRM1KCNH2MEN1 | |
| SCHEMBL21061260 | 0.84 | MEN1 (0.40) | CYP2D6TSHROPRM1OPRL1CCR8 | |
| SCHEMBL21102631 | 0.77 | SLC6A4 (0.47) | CYP2D6TSHROPRM1KCNH2MEN1 | |
| SCHEMBL21061267 | 0.77 | CCR5 (0.36) | CYP2D6OPRM1OPRL1 | |
| SCHEMBL21061289 | 0.75 | F9 (0.44) | CYP2D6TSHROPRM1KCNH2MEN1 | |
| SCHEMBL21102613 | 0.73 | SLC6A2 (0.47) | CYP2D6TSHROPRM1KCNH2MEN1 | |
| SCHEMBL21051929 | 0.71 | NPC1 (0.45) | CYP2D6TSHROPRM1KCNH2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019115008-A1 | DIALKYLAMINOARYLPIPERIDINYL-O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-20 | — | — | WO | disclosed |