Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23760128 | 0.98 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL23760171 | 0.88 | HTT (0.35) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL23760181 | 0.87 | L3MBTL1 (0.36) | ALDH1A1KDM4EHPGDMAPTL3MBTL1 | |
| SCHEMBL23760201 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL22035836 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL22747630 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL22035840 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL22036060 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDMAPTNPSR1 | |
| SCHEMBL23760117 | 0.80 | IL1R1 (0.43) | ALDH1A1KDM4EHPGDMAPTL3MBTL1 | |
| SCHEMBL23760141 | 0.79 | EGFR (0.43) | ALDH1A1KDM4EHPGDMAPTNPSR1 |
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-3630764-B1 | HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-08-18 | — | — | EP | disclosed |