Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19631907 | 0.81 | TSHR (0.47) | TSHROPRM1SIGMAR1KCNH2ALDH1A1 | |
| SCHEMBL19631555 | 0.78 | SIGMAR1 (0.49) | TSHROPRM1SIGMAR1KCNH2ALDH1A1 | |
| SCHEMBL4610975 | 0.78 | TSHR (0.80) | TSHROPRM1SIGMAR1ALDH1A1CYP2D6 | |
| SCHEMBL19631675 | 0.77 | SIGMAR1 (0.47) | TSHROPRM1SIGMAR1KCNH2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6504677 | 0.77 | TSHR (0.78) | TSHROPRM1SIGMAR1ALDH1A1CYP2D6 | |
| SCHEMBL19631577 | 0.76 | SIGMAR1 (0.52) | TSHROPRM1SIGMAR1KCNH2 | |
| SCHEMBL16576960 | 0.76 | ALDH1A1 (0.56) | TSHROPRM1SIGMAR1KCNH2ALDH1A1 | |
| SCHEMBL21337174 | 0.75 | SIGMAR1 (0.51) | TSHROPRM1SIGMAR1KCNH2KMT2A | |
| SCHEMBL14434387 | 0.75 | TSHR (0.56) | TSHROPRM1SIGMAR1KCNH2ALDH1A1 | |
| SCHEMBL21337177 | 0.74 | OPRM1 (0.46) | TSHROPRM1SIGMAR1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458450-B1 | TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2020-07-01 | — | — | EP | disclosed |
| WO-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |