Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Betanaphthol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.54 |
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Betanaphthol SCHEMBL27615211 | 0.91 | CYP1A2 (0.71) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Sulfuric Acid SCHEMBL9324873 | 0.91 | CYP1A2 (0.59) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL17419429 | 0.90 | CYP1A2 (0.63) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL28781 | 0.88 | CYP1A2 (1.00) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL239472 | 0.88 | CYP1A2 (1.00) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL29658180 | 0.88 | CYP1A2 (1.00) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL11594695 | 0.88 | CYP1A2 (1.00) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL11349576 | 0.86 | CYP1A2 (0.63) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Phenolsulfonic Acid SCHEMBL11600583 | 0.86 | LMNA (0.63) | CYP1A2ESR2ESR1MEN1KMT2A | |
| Betanaphthol SCHEMBL1986949 | 0.86 | CYP1A2 (0.85) | CYP1A2ESR2ESR1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020194563-A1 | AGENT FOR PREVENTING OR IMPROVING SYMPTOMS OR DISEASE CAUSED BY PHENOLS | 国立大学法人東北大学 | 2020-10-01 | — | — | WO | claimed |
| US-20220102000-A1 | PREDICTING BLOOD METABOLITES | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2022-03-31 | — | — | US | disclosed |
| WO-2020194563-A1 | AGENT FOR PREVENTING OR IMPROVING SYMPTOMS OR DISEASE CAUSED BY PHENOLS | 国立大学法人東北大学 | 2020-10-01 | — | — | WO | disclosed |
| CN-108872135-A | A method of utilizing polymalic acid content near infrared ray fermentation liquid | 天津科技大学 | 2018-11-23 | — | — | CN | disclosed |