Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | PKLR | P30613 | 1/20 | 0.68 |
| ▸ | PTPRA | P18433 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 2/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10265469 | 0.86 | PKM (0.69) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL4721788 | 0.82 | PKM (0.72) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL4722268 | 0.82 | PKM (0.64) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL31573277 | 0.82 | PKM (0.72) | PKMPKLRPTPRACYP2C19CLK1 | |
| SCHEMBL11538649 | 0.82 | PKM (0.72) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL2533742 | 0.82 | PKM (0.72) | PKMPKLRPTPRACYP2C19CLK1 | |
| SCHEMBL397643 | 0.81 | PKM (0.63) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL29507879 | 0.81 | PKM (0.63) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL22777919 | 0.81 | PTPRA (0.67) | PKMPKLRPTPRACYP2C19DAO | |
| SCHEMBL30030626 | 0.81 | PKM (0.84) | PKMPKLRPTPRACYP2C19MAPT |
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-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |