Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.52 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | PRCP | P42785 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.52 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.52 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.52 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19631679 | 0.92 | SIGMAR1 (0.53) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL9129525 | 0.89 | SIGMAR1 (0.65) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL19631968 | 0.89 | CHRNB2 (0.48) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL16111935 | 0.82 | SIGMAR1 (0.62) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| Phencyclidine SCHEMBL28206533 | 0.81 | GRIN1 (0.80) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL19615068 | 0.79 | NPSR1 (0.44) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL21337174 | 0.79 | SIGMAR1 (0.51) | SIGMAR1KCNH2OPRM1TMEM97DRD4 | |
| SCHEMBL7317077 | 0.78 | SIGMAR1 (0.65) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL21337177 | 0.78 | OPRM1 (0.46) | SIGMAR1KCNH2OPRM1OPRL1TMEM97 | |
| SCHEMBL7388493 | 0.78 | SIGMAR1 (0.73) | SIGMAR1KCNH2GRIN2DGRIN3BCYP2B6 |
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 |