Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | SORD | Q00796 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22383506 | 0.85 | HSD17B10 (0.53) | HSD17B10ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL22383489 | 0.71 | GBA1 (0.42) | HSD17B10ALDH1A1KDM4EGBA1SORD | |
| SCHEMBL19893926 | 0.68 | HCRTR1 (0.44) | — | |
| SCHEMBL9513674 | 0.67 | KDM4E (0.59) | ALDH1A1KDM4EL3MBTL1GBA1SMN1; SMN2 | |
| SCHEMBL24799135 | 0.67 | SORD (0.48) | HSD17B10ALDH1A1CYP1A2CYP2C19GBA1 | |
| SCHEMBL3167113 | 0.67 | CXCR4 (0.49) | KDM4EGBA1SORDGPBAR1SMN1; SMN2 | |
| SCHEMBL14276896 | 0.67 | MAP4K4 (0.51) | HSD17B10ALDH1A1L3MBTL1GBA1TRPV1 | |
| SCHEMBL13750595 | 0.66 | CXCR4 (0.51) | KDM4EL3MBTL1GBA1SORDGPBAR1 | |
| SCHEMBL31553317 | 0.66 | CXCR4 (0.51) | KDM4EL3MBTL1GBA1SORDGPBAR1 | |
| SCHEMBL19893943 | 0.66 | HSD17B10 (0.42) | HSD17B10ALDH1A1KDM4ECYP1A2CYP2C9 |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |