Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Catechol. 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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | CA2 | P00918 | 5/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | CA4 | P22748 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.67 |
| ▸ | CA12 | O43570 | 3/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | EGFR | P00533 | 2/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.67 |
| ▸ | MMP9 | P14780 | 2/20 | 0.67 |
| ▸ | RECQL | P46063 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | CA3 | P07451 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Catechol SCHEMBL29652083 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL1143838 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL235068 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL23111816 | 0.97 | ALDH1A1 (0.62) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL11405646 | 0.97 | ALDH1A1 (0.62) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL11778548 | 0.88 | SMN1; SMN2 (0.59) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL10535949 | 0.84 | KDM4E (0.48) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL1491270 | 0.84 | ALDH1A1 (0.62) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Catechol SCHEMBL1143840 | 0.83 | CA2 (0.53) | KDM4EALDH1A1CA2SMN1; SMN2HPGD | |
| Trifluoromethanesulfonic Acid SCHEMBL1712877 | 0.83 | CA2 (0.53) | KDM4EALDH1A1CA2SMN1; SMN2HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106537145-A | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2017-03-22 | — | — | CN | claimed |
| CN-104204798-A | Biomarkers for bladder cancer and methods using the same | METABOLON INC | 2014-12-10 | — | — | CN | claimed |
| CN-107105714-A | Food composition and its application method | 希尔氏宠物营养品公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106537145-A | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104204798-A | Biomarkers for bladder cancer and methods using the same | METABOLON INC | 2014-12-10 | — | — | CN | disclosed |