Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5024019 | 0.76 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL30366335 | 0.76 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL13191613 | 0.73 | ALDH1A1 (0.52) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL6416996 | 0.73 | CYP1A2 (0.61) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL21554160 | 0.73 | HPRT1 (0.47) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL19016678 | 0.73 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL4960110 | 0.73 | NQO2 (0.61) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL15351928 | 0.73 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL4767088 | 0.73 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL9500074 | 0.73 | CYP2A6 (0.44) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 |
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-2022086171-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2022-04-28 | — | — | WO | disclosed |