Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 2/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19631789 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C19GRM4SMYD3TSHR | |
| SCHEMBL21221686 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C19GRM4SMYD3TSHR | |
| SCHEMBL21221659 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C19GRM4SMYD3TSHR | |
| SCHEMBL21221729 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C19GRM4SMYD3TSHR | |
| SCHEMBL21221658 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C19GRM4SMYD3TSHR | |
| SCHEMBL21221660 | 0.90 | GRM4 (0.35) | GRM4HPGDMCHR1LMNAALDH1A1 | |
| SCHEMBL21221650 | 0.90 | GRM4 (0.35) | GRM4HPGDMCHR1LMNAALDH1A1 | |
| SCHEMBL21221653 | 0.90 | GRM4 (0.35) | GRM4HPGDMCHR1LMNAALDH1A1 | |
| SCHEMBL21221667 | 0.90 | GRM4 (0.35) | GRM4HPGDMCHR1LMNAALDH1A1 | |
| SCHEMBL19631842 | 0.90 | GRM4 (0.35) | GRM4HPGDMCHR1LMNAALDH1A1 |
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 |