Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 11/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 7/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28511485 | 1.00 | CYP2D6 (0.47) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18428130 | 0.89 | CTSK (0.42) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28216119 | 0.89 | CTSK (0.42) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9754187 | 0.83 | CTSK (0.52) | CYP2D6CTSKCTSSCA1CA2 | |
| SCHEMBL15456301 | 0.82 | SMN1; SMN2 (0.41) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20063688 | 0.82 | SMN1; SMN2 (0.41) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL970123 | 0.78 | CTSK (0.59) | CTSKCTSSCTSLCTSBCACNA1B | |
| SCHEMBL970122 | 0.78 | CTSK (0.59) | CTSKCTSSCTSLCTSBCACNA1B | |
| SCHEMBL30148499 | 0.77 | CA1 (0.42) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30150868 | 0.77 | CA1 (0.42) | CYP2D6CTSKCYP1A2CYP2C9CYP2C19 |
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 |