Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1116406 | 0.77 | CA2 (0.56) | CA1CA2CA9CA12 | |
| SCHEMBL4160810 | 0.77 | CYP2A6 (0.52) | PTPRCCTSLCTSSPTPN13TDP2 | |
| SCHEMBL784140 | 0.76 | CA1 (0.51) | CA1CA2CA9MAPK1CA12 | |
| Ammonia Solution, Strong SCHEMBL28645552 | 0.75 | CA2 (0.55) | CA1CA2CA9CA12 | |
| SCHEMBL16113470 | 0.75 | PTGS2 (0.48) | CA1CA2PTPRCCTSLCTSS | |
| SCHEMBL29469809 | 0.75 | CA1 (0.58) | CA1CA2CA9MAPK1CA12 | |
| SCHEMBL2227362 | 0.75 | CA1 (0.58) | CA1CA2CA9MAPK1CA12 | |
| SCHEMBL28309616 | 0.75 | PTPRC (0.50) | PTPRCCTSLCTSSPTPN13TDP2 | |
| SCHEMBL5694180 | 0.75 | CA1 (0.41) | CA1CA2CA9CA12 | |
| SCHEMBL8514484 | 0.75 | CA2 (0.50) | CA1CA2CA9MAPK1CA12 |
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-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |