Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL12846932 | 0.90 | DHFR (0.39) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788421 | 0.88 | IP6K1 (0.50) | DHFRIP6K1 | |
| SCHEMBL12788906 | 0.88 | NTSR1 (0.40) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788332 | 0.87 | PDE3B (0.46) | DHFRKDM4EALDH1A1IP6K1MAPK1 | |
| SCHEMBL12788878 | 0.86 | ALDH1A1 (0.37) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788890 | 0.86 | DHFR (0.55) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788886 | 0.86 | NAMPT (0.38) | DHFRIP6K1 | |
| SCHEMBL12788508 | 0.86 | DHFR (0.41) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788916 | 0.85 | DHFR (0.37) | DHFRKDM4EALDH1A1HPGDIP6K1 | |
| SCHEMBL12788908 | 0.85 | NAMPT (0.37) | DHFRKDM4EALDH1A1IP6K1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297117-B1 | BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |