Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 9/20 | 0.38 |
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4782612 | 0.85 | IDH1 (0.41) | PIK3CAMTORPFKFB3IDH1ESR1 | |
| SCHEMBL4855287 | 0.84 | PIK3CA (0.44) | PIK3CAPFKFB3IDH1ESR1ESR2 | |
| SCHEMBL4784088 | 0.83 | PIK3CA (0.43) | PIK3CAMTORPIK3CGROCK1ALDH1A1 | |
| SCHEMBL4784144 | 0.83 | IDH1 (0.42) | PIK3CAMTORPFKFB3IDH1TSHR | |
| SCHEMBL4782980 | 0.82 | PIK3CA (0.44) | PIK3CAPIK3CGPFKFB3IDH1ESR1 | |
| SCHEMBL4784054 | 0.80 | PIK3CA (0.37) | PIK3CAMTORPIK3CGIDH1ROCK1 | |
| SCHEMBL4785148 | 0.80 | ESR1 (0.42) | PIK3CAMTORPFKFB3ESR1ESR2 | |
| SCHEMBL4884094 | 0.79 | PIK3CA (0.44) | PIK3CAMTORPIK3CGPFKFB3ESR1 | |
| SCHEMBL4783343 | 0.79 | AOC3 (0.41) | PIK3CAMTORPFKFB3ESR1ESR2 | |
| SCHEMBL4784691 | 0.79 | AOC3 (0.41) | PIK3CAMTORPFKFB3ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008072850-A1 | TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE | AMOREPACIFIC CORPORATION (KR) | 2008-06-19 | — | — | WO | disclosed |