Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Phenol. 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL29228930 | 0.98 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28250922 | 0.88 | CA12 (0.55) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL11211493 | 0.87 | TDP1 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28121724 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL4576632 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL138896 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL8801033 | 0.87 | TDP1 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28206744 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL919188 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL247463 | 0.87 | CA12 (0.69) | CA12CA1CA2GLACA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109477038-A | ENCAPSULATED LAUNDRY CLEANING COMPOSITION | 巴斯夫欧洲公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-106674368-A | Preparation method of phellinus igniarius sporocarp cell wall active crude polysaccharide | 上海健康医学院 | 2017-05-17 | — | — | CN | disclosed |
| CN-106350401-A | Chinese yam polysaccharide, Chinese yam healthcare wine and production method thereof | 泸州品创科技有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-104258106-A | Preparation method of effective part of dendrobium officinale | NINGBO FENGKANG BIOLOG TECHNOLOGY CO LTD | 2015-01-07 | — | — | CN | disclosed |
| CN-101259087-B | Pure plant amino acid nutrition hair-washing blackening liquid and producing technique thereof | NANYANG HAIDA BIO TECHNOLOGY CO LTD | 2010-06-02 | — | — | CN | disclosed |
| US-5027898-A | Injeciton of lignin phenol ethoxy derivative | TEXACO INC. (US) | 1991-07-02 | — | — | US | disclosed |