Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 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 | |
|---|---|---|---|---|
| SCHEMBL12461563 | 0.82 | TDP1 (0.41) | TDP1HSP90AA1ATMUBE2NL3MBTL1 | |
| SCHEMBL12304052 | 0.82 | TDP1 (0.41) | TDP1HSP90AA1ATMUBE2NBRD4 | |
| SCHEMBL12461186 | 0.77 | TDP1 (0.46) | TDP1HSP90AA1ATMUBE2NBRD4 | |
| SCHEMBL6208653 | 0.72 | TDP1 (0.52) | TDP1HSP90AA1ATMUBE2NFGFR3 | |
| SCHEMBL29317265 | 0.68 | TLR7 (0.41) | TDP1HSP90AA1ATMCYP2D6UBE2N | |
| SCHEMBL28361384 | 0.68 | FFAR1 (0.36) | TDP1CYP2E1CYP2C8CYP2D6CYP2A6 | |
| SCHEMBL1141480 | 0.66 | HTR1A (0.38) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL17552571 | 0.64 | TDP1 (0.42) | TDP1HSP90AA1ATMUBE2NBRD4 | |
| SCHEMBL21252647 | 0.63 | — | — | |
| SCHEMBL3632404 | 0.63 | TSHR (0.46) | ATML3MBTL1FFAR1 |
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-2011032277-A1 | QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-24 | — | — | WO | disclosed |