Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL24928425 | 1.00 | CA1 (0.38) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL13090807 | 1.00 | CA1 (0.38) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL12346389 | 1.00 | CA1 (0.38) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL30313614 | 1.00 | CA1 (0.38) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL15978039 | 1.00 | CA1 (0.38) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL20417671 | 0.97 | CA1 (0.36) | CA1CA2CA4MLYCDTAS1R3 | |
| SCHEMBL14430845 | 0.94 | CA1 (0.32) | CA1CA2CA4 | |
| SCHEMBL21788164 | 0.94 | CA1 (0.32) | CA1CA2CA4 | |
| SCHEMBL15978038 | 0.94 | CA1 (0.32) | CA1CA2CA4 | |
| SCHEMBL22539588 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011032277-A1 | QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | WO | disclosed |