Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.31 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13862196 | 0.91 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2HTTMAPTMEN1 | |
| SCHEMBL11956950 | 0.81 | ALDH1A1 (0.30) | ALDH1A1SMN1; SMN2LMNATDP1 | |
| SCHEMBL11956943 | 0.80 | — | — | |
| SCHEMBL13862191 | 0.79 | — | — | |
| SCHEMBL13862214 | 0.78 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL13862197 | 0.76 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL11956883 | 0.76 | MAP2K1 (0.35) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL13862190 | 0.76 | CFD (0.35) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL1045833 | 0.76 | CHRM1 (0.45) | SMN1; SMN2HTTMAPTLMNA | |
| SCHEMBL13356095 | 0.74 | SLC22A12 (0.36) | ALDH1A1SMN1; SMN2HTTMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |