Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 11/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6469083 | 0.71 | OPRM1 (0.55) | KCNH2OPRM1OPRL1CXCR4CYP2D6 | |
| SCHEMBL6273042 | 0.71 | OPRM1 (0.36) | KCNH2OPRM1OPRL1CXCR4CHRM2 | |
| SCHEMBL6660960 | 0.69 | PRKCD (0.33) | — | |
| SCHEMBL14713128 | 0.65 | SIGMAR1 (0.36) | OPRM1CYP2D6SIGMAR1KDM1AADRB1 | |
| SCHEMBL3127121 | 0.65 | MEN1 (0.50) | PNMT | |
| Hydrochloric Acid SCHEMBL29244280 | 0.58 | PNMT (0.43) | CYP2D6PNMTKDM1A | |
| Hydrochloric Acid SCHEMBL31047654 | 0.58 | PNMT (0.43) | CYP2D6PNMTKDM1A | |
| SCHEMBL17444517 | 0.58 | NOTUM (0.36) | KCNH2SIGMAR1KDM1A | |
| SCHEMBL655089 | 0.58 | GRIN1 (0.42) | OPRM1SIGMAR1ADRB1 | |
| SCHEMBL21920651 | 0.57 | KDM1A (0.53) | OPRM1SIGMAR1KDM1A |
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-2005016913-A1 | TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS | PFIZER JAPAN, INC. (JP) | 2005-02-24 | — | — | WO | disclosed |