Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 8/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL29862219 | 0.96 | MAP4K4 (0.38) | MAP4K4PDE10AALOX15PIK3CA | |
| SCHEMBL18886839 | 0.79 | MAP4K4 (0.35) | MAP4K4 | |
| SCHEMBL23530872 | 0.72 | — | — | |
| SCHEMBL63061 | 0.69 | — | — | |
| SCHEMBL3396471 | 0.68 | — | — | |
| SCHEMBL559642 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8134374 | 0.67 | ALOX15 (0.36) | MAP4K4PDE10AALOX15 | |
| Hydrochloric Acid SCHEMBL28275439 | 0.67 | ALOX15 (0.36) | MAP4K4PDE10AALOX15 | |
| Hydrochloric Acid SCHEMBL29571168 | 0.67 | CYP2A6 (0.35) | — | |
| SCHEMBL20476234 | 0.64 | DRD4 (0.33) | MAP4K4 |
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-1957485-A2 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | Bayer Healthcare, LLC (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064931-A2 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER HEALTHCARE LLC (US) | 2007-06-07 | — | — | WO | disclosed |