Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MC4R | P32245 | 2/20 | 0.39 |
| ▸ | MC3R | P41968 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14645720 | 0.85 | DPP4 (0.41) | DPP4AGTR2SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL14995124 | 0.79 | — | — | |
| SCHEMBL29317145 | 0.78 | DPP4 (0.42) | DPP4AGTR2MAPTALDH1A1PIK3CA | |
| SCHEMBL824892 | 0.78 | DPP4 (0.42) | DPP4AGTR2MAPTALDH1A1PIK3CA | |
| SCHEMBL25733592 | 0.77 | PIK3CA (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL19867145 | 0.77 | PIK3CA (0.42) | DPP4AGTR2PIK3CAPIK3CDPIK3CB | |
| SCHEMBL14645771 | 0.76 | DPP4 (0.57) | DPP4AGTR2HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14646637 | 0.76 | DPP4 (0.57) | DPP4AGTR2HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL351195 | 0.74 | DPP4 (0.46) | DPP4AGTR2SMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL17275232 | 0.74 | DPP4 (0.55) | DPP4AGTR2SMN1; SMN2HTTNPC1 |
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 |