Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18629003 | 0.90 | KDM4E (0.41) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL22482084 | 0.87 | KDM4E (0.54) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL18937387 | 0.84 | KDM4E (0.61) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL22482091 | 0.79 | KDM4E (0.40) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL11606982 | 0.79 | CYP2D6 (0.31) | — | |
| SCHEMBL24022479 | 0.78 | MEN1 (0.52) | MTNR1AMTNR1BKMT2A | |
| SCHEMBL22434968 | 0.77 | KDM4E (0.46) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL20696996 | 0.77 | KMT2A (0.39) | KDM4EMAPK1TSHRALDH1A1NQO2 | |
| SCHEMBL13942219 | 0.76 | — | — | |
| SCHEMBL25608117 | 0.76 | KDM4E (0.44) | KDM4EMAPK1HIF1ATSHRALDH1A1 |
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-2020198583-A1 | BICYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2020-10-01 | — | — | WO | disclosed |