Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.45 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24163246 | 0.86 | HTR6 (0.47) | HTR6HSD17B1HSD17B2TRIM58ESR1 | |
| SCHEMBL27919141 | 0.81 | HTR6 (0.42) | HTR6TRIM58CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL49308 | 0.76 | KEAP1 (0.61) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Biphenyl SCHEMBL27896759 | 0.76 | KEAP1 (0.49) | HTR6CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28805670 | 0.76 | KDM4E (0.42) | CYP3A4CYP1A2CYP2C19KEAP1ALDH1A1 | |
| SCHEMBL16194432 | 0.76 | CYP1A2 (0.59) | CYP1A2KEAP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL31514926 | 0.76 | CYP1A2 (0.59) | HSD17B1HSD17B2ESR1ESR2CYP3A4 | |
| SCHEMBL577961 | 0.75 | ALDH1A1 (0.55) | HTR6CYP3A4CYP1A2KEAP1ALDH1A1 | |
| SCHEMBL29506864 | 0.75 | HSD17B1 (0.56) | HSD17B1HSD17B2ESR1ESR2CYP3A4 | |
| Iodide SCHEMBL19990734 | 0.74 | KEAP1 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103298772-B | Method for producing aromatic alcohol or heterocyclic aromatic alcohol | MITSUBISHI GAS CHEMICAL CO | 2015-06-24 | — | — | CN | disclosed |
| CN-103298772-A | Method for producing aromatic alcohol or heterocyclic aromatic alcohol | MITSUBISHI GAS CHEMICAL CO | 2013-09-11 | — | — | CN | disclosed |