Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 12/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514881 | 1.00 | CYP2D6 (0.53) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL16285822 | 0.92 | CYP2D6 (0.44) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL16285803 | 0.92 | CYP2D6 (0.44) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL3735437 | 0.88 | CA1 (0.49) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL28216274 | 0.87 | CA1 (0.42) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL18428079 | 0.87 | CA1 (0.42) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL29990821 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL3689498 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL168389 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSKCA1CA2CA7 | |
| SCHEMBL344731 | 0.86 | CYP2D6 (0.55) | CYP2D6CTSKCA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |