Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.49 |
| ▸ | GBA1 | P04062 | 10/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19893913 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2GBA1PDE2AHSD11B1 | |
| SCHEMBL19894022 | 0.85 | GBA1 (0.45) | HCRTR1HCRTR2GBA1ALDH1A1HTT | |
| SCHEMBL19893888 | 0.83 | HCRTR1 (0.52) | HCRTR1HCRTR2GBA1PDE2AHSD11B1 | |
| SCHEMBL19893887 | 0.83 | HCRTR1 (0.52) | HCRTR1HCRTR2GBA1PDE2AHSD11B1 | |
| SCHEMBL19893856 | 0.81 | HCRTR1 (0.62) | HCRTR1HCRTR2 | |
| SCHEMBL20212709 | 0.81 | HCRTR1 (0.48) | HCRTR1HCRTR2GBA1ALDH1A1LMNA | |
| SCHEMBL20223572 | 0.80 | GBA1 (0.44) | HCRTR1HCRTR2GBA1HTT | |
| SCHEMBL19894124 | 0.80 | HCRTR2 (0.53) | HCRTR1HCRTR2GBA1 | |
| SCHEMBL20223577 | 0.80 | HCRTR1 (0.52) | HCRTR1HCRTR2GBA1ALDH1A1KDM4E | |
| SCHEMBL19893919 | 0.80 | HCRTR1 (0.55) | HCRTR1HCRTR2GBA1ALDH1A1SMN1; SMN2 |
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-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2020-09-02 | — | — | EP | disclosed |