Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.44 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638235 | 0.85 | KIF11 (0.39) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL5861679 | 0.84 | KIF11 (0.38) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL489171 | 0.78 | CNR1 (0.35) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL21401129 | 0.78 | KCNH2 (0.38) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL10234508 | 0.77 | CYP2C19 (0.46) | KCNH2OPRM1CHRM3CYP1A2CYP2D6 | |
| SCHEMBL28042748 | 0.77 | KCNH2 (0.38) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 | |
| SCHEMBL21742050 | 0.76 | SMN1; SMN2 (0.40) | KCNH2OPRK1ADRA1ACYP1A2CYP2D6 | |
| SCHEMBL18408916 | 0.75 | CYP2C19 (0.48) | KCNH2CHRM3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5571854 | 0.75 | CYP2C19 (0.48) | KCNH2CHRM3CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10939163 | 0.74 | KCNH2 (0.44) | KCNH2OPRM1OPRD1MRGPRX2OPRK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018145219-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING | SERANI MOSTAZAL JORGE (CL) | 2018-08-16 | — | — | WO | claimed |
| EP-1979301-A1 | PERFUMING INGREDIENTS WITH ODOR OF THE PHEROMONE TYPE | FIRMENICH SA (CH) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007085984-A1 | PERFUMING INGREDIENTS WITH ODOR OF THE PHEROMONE TYPE | FIRMENICH SA (CH) | 2007-08-02 | — | — | WO | disclosed |