Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.71 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.71 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.56 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12281655 | 0.84 | ADORA2A (0.92) | ADORA2ANUDT1SCN9ADCPSMEN1 | |
| SCHEMBL421987 | 0.83 | ADORA2A (1.00) | ADORA2ANUDT1SCN9ADCPSMEN1 | |
| SCHEMBL30979893 | 0.83 | ADORA2A (0.77) | ADORA2ANUDT1SCN9ADCPSDHFR | |
| Hydrochloric Acid SCHEMBL27344186 | 0.82 | ADORA2A (0.96) | ADORA2ANUDT1SCN9ADCPSMEN1 | |
| SCHEMBL15810926 | 0.82 | ADORA2A (0.59) | ADORA2ANUDT1SCN9ADCPS | |
| SCHEMBL21667632 | 0.81 | MEN1 (0.58) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL15034651 | 0.79 | ADORA2A (0.49) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL19988626 | 0.79 | KDM4E (0.66) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL21667455 | 0.78 | MEN1 (0.64) | ADORA2ANUDT1MEN1KMT2AATM | |
| SCHEMBL24287260 | 0.78 | ADORA2A (0.73) | ADORA2ANUDT1SCN9ADCPS |
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 |