Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 9/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15107083 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2TAS1R3TAS1R1CASP1TYR | |
| SCHEMBL7269277 | 0.84 | TAS1R3 (0.51) | SMN1; SMN2TAS1R3TAS1R1CASP1ALDH1A1 | |
| SCHEMBL7269272 | 0.84 | TAS1R3 (0.51) | SMN1; SMN2TAS1R3TAS1R1CASP1ALDH1A1 | |
| SCHEMBL13613767 | 0.82 | SMN1; SMN2 (0.56) | SMN1; SMN2TAS1R3TAS1R1CTSKCTSL | |
| SCHEMBL2402155 | 0.81 | ALDH1A1 (0.51) | CASP1TYRALDH1A1 | |
| SCHEMBL8951293 | 0.81 | ALDH1A1 (0.51) | CASP1TYRALDH1A1 | |
| SCHEMBL15106969 | 0.80 | CTSK (0.56) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL9052342 | 0.78 | TAS1R3 (0.40) | SMN1; SMN2TAS1R3TAS1R1CASP1TYR | |
| SCHEMBL9052340 | 0.78 | TAS1R3 (0.40) | SMN1; SMN2TAS1R3TAS1R1CASP1TYR | |
| SCHEMBL12764070 | 0.76 | CTSK (0.61) | CTSKCTSLCTSBCTSS |
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 |