Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19631885 | 0.76 | HTR2A (0.40) | OPRM1SIGMAR1KCNH2HTR2AADRA1A | |
| SCHEMBL19631805 | 0.72 | SIGMAR1 (0.42) | OPRM1SIGMAR1KCNH2HTR2ACACNA1G | |
| SCHEMBL19631886 | 0.71 | KCNH2 (0.40) | OPRM1SIGMAR1KCNH2HTR2AHTR1D | |
| SCHEMBL19631582 | 0.68 | HTR2A (0.35) | OPRM1SIGMAR1KCNH2HTR2A | |
| SCHEMBL19631924 | 0.67 | SLC40A1 (0.35) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL19631953 | 0.67 | SIGMAR1 (0.44) | OPRM1SIGMAR1KCNH2HTR2A | |
| SCHEMBL19631597 | 0.67 | CYP2A13 (0.48) | OPRM1SIGMAR1KCNH2HTR2AHTR1D | |
| SCHEMBL19631945 | 0.66 | SIGMAR1 (0.41) | OPRM1SIGMAR1KCNH2HTR2A | |
| SCHEMBL19631920 | 0.63 | SIGMAR1 (0.40) | OPRM1SIGMAR1KCNH2KMT2AMEN1 | |
| SCHEMBL19631821 | 0.62 | POLB (0.42) | OPRM1SIGMAR1KMT2AMEN1CYP1A2 |
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-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |