Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21781814 | 0.88 | AKT1 (0.31) | ITGB1AKT1 | |
| SCHEMBL21781887 | 0.86 | — | — | |
| SCHEMBL21781797 | 0.86 | AKT1 (0.39) | CYP3A4ITGB1AKT1 | |
| SCHEMBL21782018 | 0.84 | AKT1 (0.37) | CYP3A4ITGB1AKT1 | |
| SCHEMBL24136520 | 0.82 | CYP3A4 (0.46) | CYP3A4FOLH1 | |
| SCHEMBL21781884 | 0.82 | CYP3A4 (0.46) | CYP3A4FOLH1 | |
| SCHEMBL21781928 | 0.82 | CYP3A4 (0.42) | CYP3A4FOLH1AKT1 | |
| SCHEMBL21781904 | 0.81 | CYP3A4 (0.41) | CYP3A4FOLH1AKT1 | |
| SCHEMBL21781742 | 0.81 | MMP7 (0.32) | ITGB1ITGA4FOLH1 | |
| SCHEMBL24136555 | 0.78 | CYP3A4 (0.44) | CYP3A4FOLH1 |
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-3617221-A1 | CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |