Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METTL3 | Q86U44 | 1/20 | 0.76 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.31 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.31 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.31 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.31 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | PLA2G4A | P47712 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4364224 | 0.99 | METTL3 (0.75) | METTL3SGMS2PDCD1CD274P2RX4 | |
| SCHEMBL4365485 | 0.92 | METTL3 (0.84) | METTL3PLA2G4A | |
| SCHEMBL4374954 | 0.89 | METTL3 (0.75) | METTL3SGMS2PDCD1CD274PRKAB2 | |
| Elvitegravir SCHEMBL13225651 | 0.86 | METTL3 (1.00) | METTL3PLA2G4A | |
| Elvitegravir SCHEMBL726251 | 0.86 | METTL3 (1.00) | METTL3PLA2G4A | |
| Elvitegravir SCHEMBL726252 | 0.86 | METTL3 (1.00) | METTL3PLA2G4A | |
| Elvitegravir SCHEMBL29623981 | 0.86 | METTL3 (1.00) | METTL3PLA2G4A | |
| SCHEMBL1045112 | 0.86 | METTL3 (0.86) | METTL3PLA2G4A | |
| SCHEMBL3245266 | 0.86 | METTL3 (0.86) | METTL3PLA2G4A | |
| Elvitegravir SCHEMBL1050765 | 0.86 | METTL3 (0.98) | METTL3PLA2G4A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |