Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MELK | Q14680 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23837038 | 0.90 | MAPT (0.45) | MAP4K4HDAC6MELKMAPTALDH1A1 | |
| SCHEMBL22013100 | 0.82 | NTRK1 (0.51) | — | |
| SCHEMBL29692846 | 0.82 | NTRK1 (0.51) | — | |
| SCHEMBL28596748 | 0.82 | NTRK1 (0.51) | — | |
| SCHEMBL22014119 | 0.81 | MAP4K4 (0.41) | MAP4K4MELKDGAT2 | |
| SCHEMBL23837076 | 0.81 | MAP4K4 (0.41) | MAP4K4MELKDGAT2 | |
| SCHEMBL22013375 | 0.76 | PDE10A (0.45) | MAP4K4MELKPDE10A | |
| SCHEMBL23837016 | 0.76 | PDE10A (0.45) | MAP4K4MELKPDE10A | |
| SCHEMBL22083650 | 0.73 | NTRK1 (0.47) | HDAC6IRAK4 | |
| SCHEMBL23836947 | 0.73 | MELK (0.39) | MAP4K4MELKPDE10ADGAT2 |
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-2020098723-A1 | SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR | 上海轶诺药业有限公司 | 2020-05-22 | — | — | WO | disclosed |