Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | ME2 | P23368 | 1/20 | 0.44 |
| ▸ | ME1 | P48163 | 1/20 | 0.44 |
| ▸ | ME3 | Q16798 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31285853 | 1.00 | IDO1 (0.47) | IDO1NOD1HRH3ME2ME1 | |
| SCHEMBL22605659 | 0.85 | LMNA (0.47) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL22605506 | 0.83 | EGFR (0.45) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL22588248 | 0.82 | NOD1 (0.43) | IDO1NOD1HSD11B1LMNAUSP2 | |
| SCHEMBL22605671 | 0.78 | HSD11B1 (0.48) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL22588251 | 0.78 | NOD1 (0.45) | NOD1USP2KMT2AEGFR | |
| SCHEMBL22605739 | 0.78 | CTSS (0.55) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL31285953 | 0.78 | CNR1 (0.46) | HRH3ME2ME1ME3CNR1 | |
| SCHEMBL22594434 | 0.77 | HSD11B1 (0.73) | HSD11B1TNKSPARP1PARP2LMNA | |
| SCHEMBL22587888 | 0.77 | TNKS (0.49) | HRH3ME2ME1ME3HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |