Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSH | P09668 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12436763 | 1.00 | HSD11B1 (0.41) | HSD11B1DRD2EPHX2TSHRALDH1A1 | |
| SCHEMBL103089 | 0.89 | HSD11B1 (0.47) | HSD11B1DRD2EPHX2TSHREPHX1 | |
| Bicarbonate SCHEMBL8027977 | 0.85 | HSD11B1 (0.44) | HSD11B1DRD2EPHX2TSHRALDH1A1 | |
| SCHEMBL8260719 | 0.81 | EPHX1 (0.48) | HSD11B1DRD2ALDH1A1GAAEPHX1 | |
| SCHEMBL12283083 | 0.81 | EPHX2 (0.52) | HSD11B1DRD2EPHX2TSHREPHX1 | |
| SCHEMBL25486735 | 0.81 | EPHX1 (0.48) | HSD11B1DRD2ALDH1A1GAAEPHX1 | |
| SCHEMBL890157 | 0.81 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL12436835 | 0.81 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 | |
| SCHEMBL12206723 | 0.81 | EPHX1 (0.47) | HSD11B1DRD2EPHX2ALDH1A1EPHX1 | |
| SCHEMBL890177 | 0.81 | EPHX2 (0.42) | EPHX2TSHRALDH1A1GAAEPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |