Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157570 | 0.89 | CES2 (0.41) | ALDH1A1F2RMAPK14MAPK13MAPK12 | |
| SCHEMBL21362565 | 0.88 | MAPT (0.36) | ALDH1A1F2RTP53RAB9AGAA | |
| SCHEMBL20157580 | 0.87 | LMNA (0.37) | ALDH1A1TP53RAB9AGAAMAPT | |
| SCHEMBL21564973 | 0.81 | CCNB2 (0.33) | ALDH1A1F2RTP53GAAKMT2A | |
| SCHEMBL20157817 | 0.80 | MAOB (0.38) | ALDH1A1MAPK14RAB9AGAAMAPT | |
| SCHEMBL21564964 | 0.79 | PTPRC (0.34) | ALDH1A1F2RTP53MAPT | |
| SCHEMBL20157681 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL21564940 | 0.78 | HPGD (0.40) | ALDH1A1TP53RAB9AMAPTKMT2A | |
| SCHEMBL20157814 | 0.77 | KMT2A (0.41) | ALDH1A1RAB9AGAAMAPTKMT2A | |
| SCHEMBL21564818 | 0.77 | SMN1; SMN2 (0.43) | ALDH1A1RAB9AMAPTKMT2A |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |