Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2662518 | 0.81 | HTT (0.36) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1329958 | 0.79 | HTT (0.46) | ALDH1A1KDM4ELMNAHPGDHTT | |
| SCHEMBL9955393 | 0.76 | GAA (0.43) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21512605 | 0.76 | MAPT (0.40) | ALDH1A1CYP1A2CYP2C19NPSR1LMNA | |
| SCHEMBL30866897 | 0.76 | MAPT (0.40) | ALDH1A1CYP1A2CYP2C19NPSR1LMNA | |
| SCHEMBL21512590 | 0.74 | HTT (0.40) | HTTALPLDYRK1BAURKAJAK2 | |
| SCHEMBL23912817 | 0.72 | ALPL (0.35) | ALDH1A1NPSR1LMNATDP1HTT | |
| SCHEMBL16926923 | 0.72 | PLAU (0.38) | HTTALPLDYRK1AKMT2A | |
| SCHEMBL924981 | 0.72 | HTT (0.34) | ALDH1A1KDM4ETDP1HTTALPL | |
| SCHEMBL1329926 | 0.70 | NPC1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 |
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 |