Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL319497 | 0.98 | GLA (0.39) | PAOXGLADRD3SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL318719 | 0.98 | GLA (0.39) | PAOXGLADRD3SMN1; SMN2POLB | |
| SCHEMBL27505384 | 0.83 | SMN1; SMN2 (0.50) | GLADRD3SMN1; SMN2L3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL27527994 | 0.81 | SMN1; SMN2 (0.49) | GLASMN1; SMN2POLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL318848 | 0.81 | KDM4E (0.35) | GLADRD3KDM4E | |
| SCHEMBL10674628 | 0.77 | DRD3 (0.47) | DRD3 | |
| SCHEMBL24675480 | 0.74 | HRH2 (0.49) | PAOXSMN1; SMN2POLBHTTKMT2A | |
| SCHEMBL1286679 | 0.72 | GLA (0.64) | PAOXGLASMN1; SMN2MEN1KMT2A | |
| SCHEMBL4000536 | 0.72 | — | — | |
| SCHEMBL1579909 | 0.72 | KEAP1 (0.53) | DRD3SMN1; SMN2KDM1A |
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-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |