Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 5/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | GRN | P28799 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4208179 | 0.84 | PDK1 (0.51) | SMN1; SMN2CCR2KCNH2DRD3HRH3 | |
| SCHEMBL4129120 | 0.82 | CCR2 (0.45) | SMN1; SMN2CCR2KCNH2DRD3HRH3 | |
| SCHEMBL4967943 | 0.81 | GRN (0.42) | CCR2KCNH2DRD3GRNSORT1 | |
| SCHEMBL6624384 | 0.80 | GRN (0.39) | CCR2KCNH2DRD3GRNSORT1 | |
| SCHEMBL17831924 | 0.79 | CCR2 (0.41) | SMN1; SMN2CCR2KCNH2DRD3HRH3 | |
| SCHEMBL16906735 | 0.79 | GRIN2B (0.48) | CCR2KCNH2GRIN2BRXRB | |
| SCHEMBL30856536 | 0.79 | TDP1 (0.41) | SMN1; SMN2DRD3GRNSORT1PDK1 | |
| Hydrochloric Acid SCHEMBL28851322 | 0.78 | OPRK1 (0.38) | PDK1 | |
| Hydrochloric Acid SCHEMBL28851422 | 0.78 | OPRK1 (0.38) | PDK1 | |
| SCHEMBL30003724 | 0.77 | HRH3 (0.41) | CCR2KCNH2DRD3HRH3GRN |
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 |
|---|---|---|---|---|---|---|---|
| US-9656968-B2 | Pyrimidines as sodium channel blockers | PURDUE PHARMA L.P. | 2017-05-23 | — | — | US | disclosed |
| CN-103562191-A | Nitrogen-containing saturated heterocyclic compound | SHANGHAI PHARMACEUTICALS HOLDING CO LTD | 2014-02-05 | — | — | CN | disclosed |