Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.48 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1816059 | 0.98 | CA2 (0.50) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL21650619 | 0.98 | SPHK1 (0.50) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL10185828 | 0.98 | SPHK1 (0.50) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL12527671 | 0.93 | SPHK1 (0.46) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL12527667 | 0.93 | SPHK1 (0.46) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL12960930 | 0.93 | SPHK1 (0.46) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL13942872 | 0.93 | SPHK1 (0.46) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL6663141 | 0.93 | CA2 (0.54) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL27869376 | 0.89 | CA2 (0.52) | CA2CA1SPHK1SPHK2GRIK1 | |
| SCHEMBL28334022 | 0.89 | CA2 (0.52) | CA2CA1SPHK1SPHK2GRIK1 |
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-1663994-B1 | TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-03-07 | — | — | EP | disclosed |