Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 15/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL20936376 | 0.86 | MCL1 (0.41) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL24589096 | 0.84 | MCL1 (0.37) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL25458684 | 0.81 | MCL1 (0.38) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL19216510 | 0.80 | MCL1 (0.34) | MCL1ADORA3ADORA2BADORA1 | |
| SCHEMBL22102810 | 0.78 | MCL1 (0.36) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL21975598 | 0.76 | ADORA1 (0.41) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL23570767 | 0.75 | MEN1 (0.43) | MEN1KMT2A | |
| SCHEMBL16158696 | 0.74 | CYP19A1 (0.50) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL16158755 | 0.74 | CYP19A1 (0.50) | MCL1ADORA3ADORA2BADORA1MEN1 | |
| SCHEMBL17067946 | 0.72 | ACHE (0.35) | — |
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-2873666-B1 | HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME | LG CHEMICAL LTD (KR) | 2017-09-20 | — | — | EP | disclosed |