Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9033186 | 0.80 | AKR1B1 (0.44) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL6922195 | 0.79 | AKR1B1 (0.57) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL4376010 | 0.74 | CES1 (0.43) | AKR1B1TSHR | |
| 2-Allylphenol SCHEMBL9280929 | 0.73 | AKR1B1 (0.53) | AKR1B1HSPA5GABRA1GABRB2KDM4E | |
| 2-Allylphenol SCHEMBL31591833 | 0.73 | GABRA1 (0.57) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| 2-Allylphenol SCHEMBL5489147 | 0.73 | GABRA1 (0.57) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL7735450 | 0.73 | AKR1B1 (0.58) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| 2-Allylphenol SCHEMBL29381085 | 0.73 | GABRA1 (0.57) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| 2-Allylphenol SCHEMBL160157 | 0.73 | GABRA1 (0.57) | AKR1B1HSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL11487741 | 0.72 | HSPA5 (0.43) | AKR1B1HSPA5TSHRCYP2D6HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912538-A1 | PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997047615-A1 | PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-12-18 | — | — | WO | disclosed |