Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 16/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | AKT2 | P31751 | 7/20 | 0.50 |
| ▸ | AKT3 | Q9Y243 | 7/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | AKT1S1 | Q96B36 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6657763 | 1.00 | AKT1 (0.59) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| Hydrochloric Acid SCHEMBL3960080 | 0.99 | AKT1 (0.58) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL7010740 | 0.86 | AKT1 (0.49) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL4213022 | 0.85 | AKT1 (0.54) | AKT1AKT2AKT3CHRM1HRH2 | |
| SCHEMBL4213020 | 0.85 | AKT1 (0.54) | AKT1AKT2AKT3CHRM1HRH2 | |
| SCHEMBL10180336 | 0.85 | AKT1 (0.54) | AKT1AKT2AKT3CHRM1HRH2 | |
| SCHEMBL3954177 | 0.85 | CALCRL (0.53) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL6268215 | 0.84 | AKT1 (0.51) | AKT1CHRM1HRH2HRH1 | |
| SCHEMBL7005623 | 0.84 | AKT1 (0.47) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL7005621 | 0.84 | AKT1 (0.47) | AKT1ROCK2CYP3A4AKT2AKT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1440976-A1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-07-28 | — | — | EP | disclosed |