Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | NLN | Q9BYT8 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13061496 | 0.87 | LTA4H (0.62) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL713213 | 0.87 | LTA4H (0.62) | CYP3A4SLC7A5LTA4HNLN | |
| Hydrochloric Acid SCHEMBL27320108 | 0.86 | LTA4H (0.61) | CYP3A4SLC7A5LTA4H | |
| SCHEMBL1007042 | 0.85 | CYP3A4 (0.61) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL6816189 | 0.83 | LTA4H (0.58) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL28231837 | 0.81 | CYP3A4 (0.57) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL1668693 | 0.81 | CYP3A4 (0.63) | CYP3A4SLC7A5 | |
| SCHEMBL6114085 | 0.81 | CYP3A4 (0.62) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL6436202 | 0.80 | CYP3A4 (0.61) | CYP3A4SLC7A5 | |
| Phenylalanine SCHEMBL28074950 | 0.80 | SLC7A5 (0.80) | CYP3A4SLC7A5LTA4HNLN |
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-2202227-A1 | NOVEL HISTIDINE DERIVATIVE | Nippon Zoki Pharmaceutical Co., Ltd. (JP) | 2010-06-30 | — | — | EP | disclosed |