Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | IL1R1 | P14778 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23760117 | 0.92 | IL1R1 (0.43) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL23760127 | 0.82 | IL1R1 (0.43) | ALDH1A1KDM4EIL1R1L3MBTL1MEN1 | |
| SCHEMBL23760196 | 0.82 | TSPO (0.37) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL15630914 | 0.79 | ATM (0.47) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL22036718 | 0.79 | KDM4E (0.42) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL23760181 | 0.79 | L3MBTL1 (0.36) | ALDH1A1KDM4EL3MBTL1MEN1KMT2A | |
| SCHEMBL20152294 | 0.79 | ATM (0.41) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL21109237 | 0.78 | ATM (0.50) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL21578779 | 0.78 | ATM (0.46) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 | |
| SCHEMBL19359854 | 0.78 | ATM (0.46) | ALDH1A1KDM4EPKMIL1R1L3MBTL1 |
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 |