Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 17/20 | 0.48 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005621 | 0.89 | AKT1 (0.47) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| SCHEMBL7005623 | 0.89 | AKT1 (0.47) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| SCHEMBL7010740 | 0.86 | AKT1 (0.49) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| SCHEMBL3954177 | 0.85 | CALCRL (0.53) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| SCHEMBL6657766 | 0.80 | AKT1 (0.59) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL6657763 | 0.80 | AKT1 (0.59) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| Hydrochloric Acid SCHEMBL3960080 | 0.79 | AKT1 (0.58) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL4585654 | 0.78 | CALCRL (0.56) | CALCRLROCK2CYP3A4 | |
| SCHEMBL6802077 | 0.76 | CALCRL (0.41) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| SCHEMBL4717937 | 0.76 | L3MBTL3 (0.38) | AKT1CALCRLCYP3A4 |
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-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |