Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25443765 | 0.87 | PIK3CD (0.50) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL12932718 | 0.82 | PIK3CD (0.38) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL2001262 | 0.79 | — | — | |
| SCHEMBL1621691 | 0.79 | PIK3CD (0.61) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL24209746 | 0.79 | PIK3CD (0.61) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL20438377 | 0.79 | PIK3CD (0.61) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL18510092 | 0.76 | PIK3CD (0.31) | PIK3CD | |
| Hydrochloric Acid SCHEMBL5183545 | 0.76 | — | — | |
| SCHEMBL23073828 | 0.74 | PIK3CD (0.36) | PIK3CDCYP2D6SMN1; SMN2 | |
| SCHEMBL18914766 | 0.74 | CYP2D6 (0.53) | PIK3CDCYP2D6SMN1; SMN2 |
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-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |
| US-4021424-A | S-triazines | CELAMERCK GMBH & CO. KG (DT) | 1977-05-03 | — | — | US | disclosed |