Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 9/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16141508 | 1.00 | PHGDH (0.36) | PHGDHIRAK1IRAK4CNR2PDE10A | |
| SCHEMBL17473423 | 1.00 | PHGDH (0.36) | PHGDHIRAK1IRAK4CNR2PDE10A | |
| SCHEMBL17473353 | 0.79 | PDE10A (0.36) | PDE10A | |
| SCHEMBL17473468 | 0.79 | MAPK8 (0.43) | — | |
| SCHEMBL16141527 | 0.79 | MAPK8 (0.43) | — | |
| SCHEMBL16141509 | 0.79 | PDE10A (0.36) | PDE10A | |
| SCHEMBL17473357 | 0.79 | MAPK8 (0.43) | — | |
| SCHEMBL16141450 | 0.76 | PDE10A (0.34) | PDE10A | |
| SCHEMBL16141548 | 0.74 | EGLN2 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL17473421 | 0.74 | HRH3 (0.46) | LMNAGAA |
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-2980089-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2017-12-20 | — | — | EP | disclosed |