Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.30 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711071 | 0.89 | NAMPT (0.36) | CCNCCDK8HASPINCDK19CYP17A1 | |
| SCHEMBL7710854 | 0.86 | — | — | |
| SCHEMBL7711556 | 0.86 | NPC1 (0.33) | — | |
| SCHEMBL7708340 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL7705092 | 0.82 | NPSR1 (0.36) | — | |
| SCHEMBL7711103 | 0.80 | SMYD3 (0.39) | LATS1 | |
| SCHEMBL7094003 | 0.80 | ADORA2B (0.32) | AAK1CYP17A1LATS1KDM4D | |
| SCHEMBL7708011 | 0.75 | LATS1 (0.34) | AAK1CYP17A1LATS1 | |
| SCHEMBL7704894 | 0.73 | CTSK (0.31) | — | |
| SCHEMBL6310050 | 0.73 | CA1 (0.34) | CCNCCDK8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |