Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.33 |
| ▸ | KIT | P10721 | 2/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL3763766 | 0.94 | PIK3CA (0.32) | PIK3CAKITPDE4APDE4BPDE4D | |
| SCHEMBL3758729 | 0.92 | PIK3CA (0.33) | PIK3CAKITPDE4APDE4BPDE4D | |
| SCHEMBL3768134 | 0.91 | PIK3CA (0.32) | PIK3CAKITPDE4APDE4BPDE4D | |
| Hydrochloric Acid SCHEMBL3758761 | 0.91 | PIK3CA (0.32) | PIK3CAKITPDE4APDE4BPDE4D | |
| SCHEMBL7819580 | 0.90 | GAK (0.32) | PIK3CAKIT | |
| SCHEMBL858728 | 0.86 | PIK3CA (0.33) | PIK3CAKITMTOR | |
| SCHEMBL6128122 | 0.86 | PIK3CA (0.33) | PIK3CAKIT | |
| SCHEMBL7819946 | 0.86 | PIK3CA (0.34) | PIK3CAKITMTOR | |
| SCHEMBL3763282 | 0.86 | KIT (0.36) | PIK3CAKIT | |
| SCHEMBL857705 | 0.86 | CREBBP (0.32) | PIK3CAKITPDE4APDE4BPDE4D |
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-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |