Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.68 |
| ▸ | CA1 | P00915 | 12/20 | 0.68 |
| ▸ | CA9 | Q16790 | 9/20 | 0.68 |
| ▸ | CA12 | O43570 | 8/20 | 0.68 |
| ▸ | CA7 | P43166 | 8/20 | 0.57 |
| ▸ | CA5A | P35218 | 6/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.57 |
| ▸ | CA4 | P22748 | 5/20 | 0.57 |
| ▸ | CA6 | P23280 | 4/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6732071 | 0.87 | CA2 (0.57) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8652225 | 0.84 | PTGS2 (0.76) | CA2CA1CA9CA12 | |
| SCHEMBL8974202 | 0.84 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL6732208 | 0.83 | PTGS2 (0.64) | CA2CA1CA9CA12 | |
| SCHEMBL9398473 | 0.83 | PTGS2 (0.53) | CA2CA1CA9CA12MAPT | |
| SCHEMBL5522736 | 0.81 | PTGS2 (0.70) | CA2CA1CA9CA12SMN1; SMN2 | |
| SCHEMBL13141161 | 0.81 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8388264 | 0.81 | PTGS2 (0.69) | CA2CA1CA9CA12 | |
| SCHEMBL23987236 | 0.80 | CA2 (0.63) | CA2CA1CA9CA12CA7 | |
| SCHEMBL14959419 | 0.80 | CA2 (0.63) | CA2CA1CA9CA12CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7531554-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2009-05-12 | — | — | US | disclosed |
| US-7531554-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2009-05-12 | — | — | US | disclosed |
| EP-0129478-A2 | 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | disclosed |