Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CG | P48736 | 5/20 | 0.70 |
| ▸ | DHFR | P00374 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MTOR | P42345 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.58 |
| ▸ | GMNN | O75496 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CTSG | P08311 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL14983450 | 0.86 | PIK3CG (0.76) | PIK3CGDHFRALDH1A1MTORKDM4E | |
| SCHEMBL12198179 | 0.84 | PIK3CG (0.78) | PIK3CGDHFRMTORCSNK1A1CLK4 | |
| SCHEMBL1350912 | 0.83 | AKT1 (0.51) | PIK3CGDHFR | |
| SCHEMBL3746280 | 0.82 | PIK3CG (1.00) | PIK3CGDHFRALDH1A1MTORKDM4E | |
| SCHEMBL3533590 | 0.82 | PIK3CG (0.50) | PIK3CGDHFRALDH1A1MTORKDM4E | |
| Hydrochloric Acid SCHEMBL1352048 | 0.82 | AKT1 (0.50) | PIK3CGDHFR | |
| SCHEMBL14983474 | 0.82 | PIK3CG (0.69) | PIK3CGDHFRALDH1A1MTORKDM4E | |
| SCHEMBL12067539 | 0.80 | DHFR (0.56) | PIK3CGDHFRALDH1A1MTORKDM4E | |
| SCHEMBL14983451 | 0.78 | PIK3CG (0.76) | PIK3CGDHFRMTORTP53HPGD | |
| SCHEMBL6811031 | 0.76 | PIK3CG (0.64) | PIK3CGDHFRALDH1A1MTORKDM4E |
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-2011000481-A1 | SYNTHESIS OF PYRAZINE DERIVATES | MERCK PATENT GMBH (DE) | 2011-01-06 | — | — | WO | disclosed |