Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.30 |
| ▸ | PAK4 | O96013 | 2/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.30 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.30 |
| ▸ | LTK | P29376 | 2/20 | 0.30 |
| ▸ | KDR | P35968 | 2/20 | 0.30 |
| ▸ | CLK2 | P49760 | 2/20 | 0.30 |
| ▸ | CDK7 | P50613 | 2/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9941261 | 0.83 | KDM4C (0.39) | PRKCICNR2KDM4EPOLBATM | |
| SCHEMBL27996373 | 0.82 | CNR2 (0.37) | PRKCICNR2KDM4EPOLBATM | |
| SCHEMBL11955228 | 0.67 | TSHR (0.34) | KDM4EALDH1A1GAA | |
| SCHEMBL27936587 | 0.67 | PDPK1 (0.43) | KDM4EATMALDH1A1PRKD3MAP4K4 | |
| SCHEMBL23761233 | 0.66 | — | — | |
| SCHEMBL29955321 | 0.65 | KEAP1 (0.38) | KDM4EALDH1A1GAAPRKD3MAP4K4 | |
| SCHEMBL27814142 | 0.64 | HSP90AB1 (0.39) | POLBALDH1A1PRKD3MAP4K4PAK4 | |
| SCHEMBL14823801 | 0.64 | — | — | |
| SCHEMBL31701620 | 0.64 | CYP1A2 (0.35) | KDM4EROCK2ALDH1A1JAK2AURKB | |
| SCHEMBL31701724 | 0.62 | PARP1 (0.33) | ROCK2JAK2AURKB |
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-2017100591-A1 | HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF | LUC THERAPEUTICS (US) | 2017-06-15 | — | — | WO | disclosed |