Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21221623 | 0.81 | USP2 (0.44) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL19631595 | 0.81 | USP2 (0.44) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL21221671 | 0.81 | USP2 (0.44) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL19631596 | 0.81 | USP2 (0.44) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL22169639 | 0.75 | SIGMAR1 (0.42) | TSHRCYP2C9MEN1KMT2ACYP2D6 | |
| SCHEMBL19631660 | 0.71 | USP2 (0.52) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL19631959 | 0.70 | OPRM1 (0.45) | CYP3A4HSD17B10 | |
| SCHEMBL20804360 | 0.69 | KCNJ1 (0.66) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL28024576 | 0.69 | KCNJ1 (0.66) | USP2TSHRCYP2C9CYP1A2MEN1 | |
| SCHEMBL22169530 | 0.69 | USP2 (0.41) | USP2TSHRCYP2C9CYP1A2MEN1 |
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 |