Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | IL1RN | P18510 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.48 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3670519 | 0.81 | KDM4E (0.54) | ALDH1A1TP53TDP1KDM4EHTT | |
| SCHEMBL27973531 | 0.81 | ACLY (0.55) | ALDH1A1TP53TDP1KDM4EHTT | |
| SCHEMBL9954267 | 0.81 | SLC22A12 (0.55) | ALDH1A1TP53TDP1KDM4ECA12 | |
| SCHEMBL7627388 | 0.79 | KEAP1 (0.67) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL633994 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TP53TDP1CA12CA1 | |
| SCHEMBL18862467 | 0.78 | KDM4E (0.60) | ALDH1A1TP53TDP1KDM4EHTT | |
| SCHEMBL6431253 | 0.76 | KEAP1 (0.57) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL2579130 | 0.74 | KDM4E (0.50) | ALDH1A1TP53TDP1KDM4EHTT | |
| SCHEMBL22980360 | 0.73 | SLC40A1 (0.44) | KDM4ESLC40A1 | |
| SCHEMBL30925525 | 0.73 | SLC40A1 (0.80) | ALDH1A1TDP1HTTMEN1KMT2A |
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-2012087938-A1 | QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-06-28 | — | — | WO | disclosed |