Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19631874 | 0.67 | CHRM2 (0.36) | CYP2D6ALDH1A1 | |
| SCHEMBL18458365 | 0.64 | PIK3CD (0.34) | PIK3CDCYP2D6SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL15332381 | 0.62 | PIK3CD (0.42) | PIK3CDCYP2D6SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3419943 | 0.61 | MGLL (0.41) | PIK3CDCYP2D6SMN1; SMN2ALDH1A1 | |
| SCHEMBL23741104 | 0.60 | CYP2D6 (0.46) | PIK3CDCYP2D6SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL25833468 | 0.60 | PIK3CD (0.44) | PIK3CDCYP2D6SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL24607220 | 0.60 | PIK3CD (0.40) | PIK3CDCYP2D6SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4546593 | 0.59 | PIK3CD (0.38) | PIK3CDCYP2D6SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL25461037 | 0.59 | PIK3CD (0.43) | PIK3CDCYP2D6SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL13339569 | 0.59 | CYP2D6 (0.44) | PIK3CDCYP2D6SMN1; SMN2TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458450-B1 | TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2020-07-01 | — | — | EP | disclosed |