Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.56 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CTSS | P25774 | 2/20 | 0.56 |
| ▸ | CTSB | P07858 | 1/20 | 0.56 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21675512 | 0.87 | CTSK (0.61) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL15374288 | 0.86 | CYP1A2 (0.59) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL15107084 | 0.86 | CYP1A2 (0.59) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL9596442 | 0.86 | CYP1A2 (0.59) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL56907 | 0.85 | CTSL (0.60) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL55833 | 0.85 | CTSL (0.60) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL6897731 | 0.85 | CTSK (0.60) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL55832 | 0.85 | CTSL (0.60) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL22144165 | 0.84 | CTSK (0.56) | CTSKCTSLCTSSCTSBCAPN1 | |
| SCHEMBL1998743 | 0.84 | CTSK (0.56) | CTSKCTSLCTSSCTSBCAPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8952053-B2 | Prodrugs of substituted 1,3-dioxanes and their uses | EVOLVA SA (CH) | 2015-02-10 | — | — | US | disclosed |
| US-8486994-B2 | Prodrugs of substituted 1,3-dioxanes and their uses | EVOLVA SA (CH) | 2013-07-16 | — | — | US | disclosed |