Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23478875 | 0.98 | ESR1 (0.36) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23478842 | 0.93 | MEN1 (0.36) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23478892 | 0.91 | MEN1 (0.38) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23479197 | 0.90 | MCL1 (0.32) | MCL1MEN1KMT2ACYP19A1FGFR1 | |
| SCHEMBL23479190 | 0.90 | CYP19A1 (0.32) | MCL1CYP19A1FGFR1 | |
| SCHEMBL23479122 | 0.90 | MEN1 (0.37) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23479183 | 0.90 | MCL1 (0.31) | MCL1MEN1KMT2A | |
| SCHEMBL23479123 | 0.89 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL23479533 | 0.89 | ESR1 (0.36) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL23479271 | 0.88 | CYP1A2 (0.33) | ESR1ESR2HSD17B1HSD17B2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021112444-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-06-10 | — | — | WO | disclosed |