Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 7/20 | 0.47 |
| ▸ | LIPG | Q9Y5X9 | 7/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL299031 | 0.77 | ENPP2 (0.57) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL29953691 | 0.70 | CA2 (0.55) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL248212 | 0.69 | ENPP2 (0.63) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL21125666 | 0.68 | ENPP2 (0.67) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL7926321 | 0.66 | CA12 (0.62) | ENPP2CA2CA1TSHR | |
| SCHEMBL204921 | 0.65 | ENPP2 (0.73) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL257735 | 0.64 | LPL (1.00) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL8675 | 0.64 | ENPP2 (1.00) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL3915021 | 0.64 | ALDH1A1 (0.61) | LPLLIPGENPP2CA2CA1 | |
| SCHEMBL12077562 | 0.64 | HTT (0.63) | ENPP2TSHR |
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-3608316-A1 | DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2020-02-12 | — | — | EP | disclosed |