Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23951696 | 0.84 | LMNA (0.31) | FDPSALDH1A1 | |
| SCHEMBL9009588 | 0.84 | EPHX2 (0.39) | FDPSCA12CA2CA9ALDH1A1 | |
| SCHEMBL5210955 | 0.83 | ALDH1A1 (0.31) | CA12CA2CA9ALDH1A1HPGD | |
| SCHEMBL497599 | 0.82 | CA12 (0.33) | FDPSCA12CA2CA9ALDH1A1 | |
| SCHEMBL2825332 | 0.80 | CA2 (0.33) | FDPSCA12CA2CA9TSHR | |
| SCHEMBL8059768 | 0.80 | CA12 (0.32) | FDPSCA12CA2CA9ALDH1A1 | |
| SCHEMBL497598 | 0.80 | CA12 (0.32) | FDPSCA12CA2CA9TSHR | |
| SCHEMBL5211825 | 0.79 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL16144753 | 0.79 | ALDH1A1 (0.30) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27323419 | 0.78 | CA2 (0.32) | CA12CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |