Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | CYP24A1 | Q07973 | 4/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298191 | 1.00 | ITGB3 (0.47) | ITGB3ITGA2BMAOAMAOBCYP24A1 | |
| SCHEMBL7289032 | 0.95 | ITGB3 (0.49) | ITGB3ITGA2BMAOAMAOBCYP24A1 | |
| SCHEMBL7297935 | 0.95 | ITGB3 (0.49) | ITGB3ITGA2BMAOAMAOBCYP24A1 | |
| SCHEMBL7289865 | 0.82 | GRIN1 (0.45) | GRIN2DGRIN3BMAPTGRIN1GRIN2A | |
| SCHEMBL27408398 | 0.81 | MMP1 (0.43) | GRIN2DGRIN3BMAPTGRIN1GRIN2A | |
| SCHEMBL8202791 | 0.81 | MAOA (0.58) | ITGB3ITGA2BMAOAMAOBCYP24A1 | |
| SCHEMBL6491492 | 0.79 | ADRA1D (0.54) | ITGB3ITGA2BMAOAMAOBCYP24A1 | |
| Hydrochloric Acid SCHEMBL7289438 | 0.77 | SIGMAR1 (0.46) | ITGB3ITGA2BGRIN2BSIGMAR1HTR1A | |
| SCHEMBL7286572 | 0.77 | GRIN1 (0.48) | ITGB3ITGA2BGRIN2DGRIN3BMAPT | |
| SCHEMBL7288330 | 0.76 | HRH3 (0.48) | MAPTGRIN1GRIN2BCYP2D6HRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6359138-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-03-19 | — | — | US | disclosed |
| EP-0846683-B1 | 4-Hydroxy-piperidine derivatives | HOFFMANN LA ROCHE (CH) | 2001-09-19 | — | — | EP | disclosed |
| EP-0846683-A1 | 4-Hydroxy-piperidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-06-10 | — | — | EP | disclosed |