Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | CD38 | P28907 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4012780 | 0.82 | CD38 (0.41) | ESR1GAAMAPTHSD17B1HSD17B2 | |
| SCHEMBL4012184 | 0.82 | NR1H2 (0.46) | ESR1NR1H2NR1H3ARCYP3A4 | |
| SCHEMBL4013817 | 0.81 | NR4A2 (0.54) | PIK3CDGAAMAPTHSD17B1HSD17B2 | |
| SCHEMBL4012143 | 0.81 | ESR1 (0.40) | ESR1GAAMAPTHSD17B1HSD17B2 | |
| SCHEMBL1125582 | 0.80 | NR1H2 (0.62) | PIK3CDHSD17B1HSD17B2NR1H2NR1H3 | |
| SCHEMBL3507496 | 0.78 | ESR1 (0.42) | PIK3CDESR1GAAHSD17B1HSD17B2 | |
| SCHEMBL3278103 | 0.78 | PIK3CD (0.43) | PIK3CDESR1HSD17B1HSD17B2NR1H2 | |
| SCHEMBL9494183 | 0.78 | CD38 (0.44) | ESR1GAAMAPTHSD17B1HSD17B2 | |
| SCHEMBL4017313 | 0.78 | NR1H2 (0.70) | NR1H2NR1H3 | |
| SCHEMBL6479303 | 0.75 | KDM4E (0.59) | ESR1GAAMAPTCD38CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |