Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.70 |
| ▸ | CTSL | P07711 | 1/20 | 0.64 |
| ▸ | CTSB | P07858 | 1/20 | 0.64 |
| ▸ | CTSK | P43235 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 5/20 | 0.54 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | F13A1 | P00488 | 2/20 | 0.50 |
| ▸ | TGM2 | P21980 | 2/20 | 0.50 |
| ▸ | TGM1 | P22735 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519304 | 1.00 | HSD11B1 (0.70) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL13161203 | 0.93 | HSD11B1 (0.72) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL13243427 | 0.92 | HSD11B1 (0.69) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL1191110 | 0.90 | HSD11B1 (0.64) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL13740409 | 0.89 | CTSL (0.68) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL3003867 | 0.89 | CTSL (0.68) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL3667335 | 0.89 | CTSL (0.68) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL6944572 | 0.89 | HSD11B1 (0.65) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL951887 | 0.89 | HSD11B1 (0.65) | HSD11B1CTSLCTSBCTSKALDH1A1 | |
| SCHEMBL3726979 | 0.89 | HSD11B1 (0.65) | HSD11B1CTSLCTSBCTSKALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |