Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | TRPV6 | Q9H1D0 | 4/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19631577 | 0.89 | SIGMAR1 (0.52) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| SCHEMBL19631923 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4TRPV6OPRM1OPRD1 | |
| SCHEMBL19631679 | 0.82 | SIGMAR1 (0.53) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| SCHEMBL9129525 | 0.79 | SIGMAR1 (0.65) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| Phencyclidine SCHEMBL28206533 | 0.74 | GRIN1 (0.80) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| SCHEMBL16111935 | 0.72 | SIGMAR1 (0.62) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| SCHEMBL4970159 | 0.72 | CHRNB2 (0.72) | CHRNB2CHRNA4TRPV6KDM4EALDH1A1 | |
| SCHEMBL15800693 | 0.72 | CHRNB2 (0.77) | CHRNB2CHRNA4TRPV6SIGMAR1KDM4E | |
| SCHEMBL7388493 | 0.71 | SIGMAR1 (0.73) | GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4 | |
| SCHEMBL16026435 | 0.71 | CHRNB2 (0.85) | CHRNB2CHRNA4TRPV6KDM4EALDH1A1 |
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 |