Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 8/20 | 0.33 |
| ▸ | CTSS | P25774 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 5/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27713999 | 1.00 | CA1 (0.38) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27904017 | 0.81 | CA1 (0.34) | CA1CA2CA7CYP2D6DGAT1 | |
| SCHEMBL27957672 | 0.81 | CA1 (0.34) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL8971704 | 0.80 | CYP2D6 (0.53) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27743835 | 0.79 | CA1 (0.46) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27613831 | 0.79 | CYP2D6 (0.33) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27743862 | 0.79 | CA1 (0.46) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27762579 | 0.77 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27472718 | 0.75 | CYP2D6 (0.37) | CA1CA2CA7CYP2D6 | |
| SCHEMBL27404694 | 0.75 | CYP2D6 (0.37) | CA1CA2CA7CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101068794-B | Quinazolines useful as modulators of ion channels | VERTEX PHARMA | 2012-12-19 | — | — | CN | disclosed |
| CN-101068794-A | Quinazolines useful as modulators of ion channels | VERTEX PHARMA (US) | 2007-11-07 | — | — | CN | disclosed |