Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14645846 | 0.85 | GRIN2D (0.46) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL11951498 | 0.75 | DPP4 (0.52) | DPP4AGTR2HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14995124 | 0.75 | — | — | |
| SCHEMBL824892 | 0.74 | DPP4 (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL29317145 | 0.74 | DPP4 (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL14646657 | 0.74 | DPP4 (0.53) | DPP4AGTR2HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19867145 | 0.74 | PIK3CA (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL25733592 | 0.74 | PIK3CA (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL14645771 | 0.72 | DPP4 (0.57) | DPP4AGTR2HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL7592383 | 0.72 | DPP4 (0.41) | DPP4AGTR2PIK3CAPIK3CDPIK3CB |
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-2013007371-A2 | KINETIC RESOLUTION OF CHIRAL AMINES | ETH ZURICH (CH) | 2013-01-17 | — | — | WO | disclosed |