Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 9/20 | 0.49 |
| ▸ | MMP9 | P14780 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MMP1 | P03956 | 6/20 | 0.47 |
| ▸ | MMP3 | P08254 | 6/20 | 0.47 |
| ▸ | MMP7 | P09237 | 6/20 | 0.47 |
| ▸ | MMP13 | P45452 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2632891 | 0.85 | CA2 (0.57) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL20988329 | 0.85 | CA2 (0.57) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL28716257 | 0.85 | SMN1; SMN2 (0.77) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL18896449 | 0.85 | SMN1; SMN2 (0.77) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL8561981 | 0.84 | CA2 (0.56) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL30444747 | 0.83 | SMN1; SMN2 (0.64) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL20988632 | 0.83 | ALDH1A1 (0.62) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL3186210 | 0.81 | MMP2 (0.47) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL13507008 | 0.81 | MMP2 (0.55) | CA12CA9CA2SMN1; SMN2MMP2 | |
| SCHEMBL3185482 | 0.80 | MMP2 (0.47) | CA12CA9CA2SMN1; SMN2MMP2 |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |