Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9024246 | 0.99 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP46A1ITGB3ITGA2BDRD2 | |
| SCHEMBL9023914 | 0.88 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP46A1DRD2DRD3MAPT | |
| SCHEMBL9024669 | 0.84 | ITGB3 (0.60) | SMN1; SMN2CYP46A1ITGB3ITGA2BMAPT | |
| Hydrochloric Acid SCHEMBL9023772 | 0.83 | ITGB3 (0.59) | SMN1; SMN2CYP46A1ITGB3ITGA2BMAPT | |
| Hydrochloric Acid SCHEMBL9409521 | 0.83 | DRD2 (0.53) | CYP46A1ITGB3ITGA2BDRD2DRD3 | |
| Hydrochloric Acid SCHEMBL9024111 | 0.81 | ITGB3 (0.56) | ITGB3ITGA2B | |
| SCHEMBL9023680 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP46A1ITGB3ITGA2BMAPT | |
| SCHEMBL7790323 | 0.78 | MAPT (0.52) | ITGB3ITGA2BMAPT | |
| Hydrochloric Acid SCHEMBL9023695 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP46A1ITGB3ITGA2BDRD2 | |
| SCHEMBL8838094 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP46A1MAPTGFERTRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0718287-A2 | Piperazine derivatives, medicaments containing them, their use, and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1996-06-26 | — | — | EP | claimed |
| EP-0718287-A2 | Piperazine derivatives, medicaments containing them, their use, and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1996-06-26 | — | — | EP | disclosed |