Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 2/20 | 0.42 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | ME2 | P23368 | 1/20 | 0.40 |
| ▸ | ME1 | P48163 | 1/20 | 0.40 |
| ▸ | ME3 | Q16798 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605809 | 0.83 | IDO1 (0.47) | EGFRLMNAALDH1A1GAAHRH3 | |
| SCHEMBL31285853 | 0.83 | IDO1 (0.47) | EGFRLMNAALDH1A1GAAHRH3 | |
| SCHEMBL22605659 | 0.81 | LMNA (0.47) | LMNAALDH1A1GAAHRH3ME2 | |
| SCHEMBL31285953 | 0.75 | CNR1 (0.46) | HRH3ME2ME1ME3JAK2 | |
| SCHEMBL22605671 | 0.74 | HSD11B1 (0.48) | OPRD1HRH3ME2ME1ME3 | |
| SCHEMBL22605739 | 0.73 | CTSS (0.55) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL22587888 | 0.72 | TNKS (0.49) | HRH3ME2ME1ME3HSD11B1 | |
| SCHEMBL30317157 | 0.72 | HSD11B1 (0.73) | LMNAALDH1A1OPRM1OPRK1OPRL1 | |
| SCHEMBL22594434 | 0.72 | HSD11B1 (0.73) | LMNAALDH1A1OPRM1OPRK1OPRL1 | |
| SCHEMBL22588034 | 0.72 | HSD11B1 (0.57) | LMNAALDH1A1OPRD1HRH3ME2 |
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 |