Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | MMP7 | P09237 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.33 |
| ▸ | NMUR1 | Q9HB89 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21782018 | 0.94 | AKT1 (0.37) | AKT1CYP3A4ITGB1ITGA5KMT2A | |
| SCHEMBL21781814 | 0.93 | AKT1 (0.31) | AKT1ITGB1ITGA5 | |
| SCHEMBL21782113 | 0.88 | AKT1 (0.41) | AKT1CYP3A4ITGB1ITGA5KMT2A | |
| SCHEMBL21781926 | 0.87 | AKT1 (0.42) | AKT1ITGB1ITGA5LCKKLKB1 | |
| SCHEMBL21782075 | 0.87 | AKT1 (0.40) | AKT1CYP3A4ITGB1ITGA5KMT2A | |
| SCHEMBL21781948 | 0.87 | AKT1 (0.41) | AKT1CYP3A4ITGB1ITGA5KMT2A | |
| SCHEMBL21781807 | 0.86 | CYP3A4 (0.31) | AKT1CYP3A4ITGB1 | |
| SCHEMBL21781883 | 0.83 | AKT1 (0.40) | AKT1CYP3A4ITGB1ITGA5KMT2A | |
| SCHEMBL21781988 | 0.82 | KDM1A (0.41) | AKT1KMT2AMEN1LCKKLKB1 | |
| SCHEMBL21781845 | 0.82 | ITGB1 (0.41) | AKT1ITGB1ITGA5KMT2AMEN1 |
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 |