Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | F13A1 | P00488 | 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 | |
|---|---|---|---|---|
| SCHEMBL22482075 | 0.90 | KDM4E (0.46) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL13013428 | 0.79 | P2RX7 (0.41) | TSHRP2RX7CASP1 | |
| SCHEMBL22482084 | 0.78 | KDM4E (0.54) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL19127312 | 0.77 | BRD4 (0.41) | TSHRP2RX7NPSR1CASP1 | |
| SCHEMBL14459791 | 0.76 | ALDH1A1 (0.47) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL22482091 | 0.74 | KDM4E (0.40) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL18937387 | 0.74 | KDM4E (0.61) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL5402831 | 0.74 | ALDH1A1 (0.46) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL14570625 | 0.73 | KDM4E (0.35) | KDM4EMAPK1HIF1ATSHRALDH1A1 | |
| SCHEMBL1696810 | 0.73 | TDP1 (0.47) | ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |