Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | CCR3 | P51677 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630748 | 0.93 | CYP2D6 (0.61) | CYP2D6ALDH1A1CHRM2CHRM3GAA | |
| Hydrochloric Acid SCHEMBL6543346 | 0.92 | CYP2D6 (0.59) | CYP2D6ALDH1A1CHRM2CHRM3GAA | |
| SCHEMBL17775632 | 0.86 | P4HB (0.58) | SIGMAR1CYP2D6ALDH1A1GAAMEN1 | |
| SCHEMBL8876235 | 0.85 | KDM4E (0.58) | SIGMAR1DRD4DRD2DRD3CYP2D6 | |
| Hydrochloric Acid SCHEMBL8877767 | 0.83 | SIGMAR1 (0.51) | SIGMAR1CCR3DRD4DRD2DRD3 | |
| SCHEMBL29658280 | 0.82 | DRD2 (0.56) | SIGMAR1CCR3DRD4DRD2DRD3 | |
| SCHEMBL4631263 | 0.82 | CYP2D6 (0.56) | SIGMAR1CCR3CYP2D6ALDH1A1CHRM2 | |
| SCHEMBL9768235 | 0.81 | SSTR1 (0.48) | ALDH1A1MEN1KMT2ALMNAHTT | |
| Hydrochloric Acid SCHEMBL29461356 | 0.81 | DRD2 (0.55) | SIGMAR1CCR3DRD4DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL29461349 | 0.81 | DRD2 (0.55) | SIGMAR1CCR3DRD4DRD2DRD3 |
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-5618830-A | TREATING INFLUENZA, PREVENTING INFECTION BY INFLUENZA VIRUS | MERCK & CO., INC. (US) | 1997-04-08 | — | — | US | disclosed |
| US-5475109-A | Useful in prevention or treatment of infection by influenza virus | MERCK & CO., INC. (US) | 1995-12-12 | — | — | US | disclosed |