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 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.62 |
| ▸ | CA4 | P22748 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.62 |
| ▸ | EGFR | P00533 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | FYN | P06241 | 2/20 | 0.62 |
| ▸ | MMP9 | P14780 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | GMNN | O75496 | 1/20 | 0.62 |
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 SCHEMBL27989011 | 0.97 | KDM4E (0.67) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL29652083 | 0.97 | KDM4E (0.67) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL235068 | 0.97 | KDM4E (0.67) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL1143838 | 0.97 | KDM4E (0.67) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL23111816 | 0.94 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL11778548 | 0.85 | SMN1; SMN2 (0.59) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL2388352 | 0.83 | ALDH1A1 (0.91) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Catechol SCHEMBL186880 | 0.83 | — | — | |
| Catechol SCHEMBL10535949 | 0.82 | KDM4E (0.48) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 | |
| Orthocresol SCHEMBL21178091 | 0.82 | TRPA1 (0.46) | ALDH1A1KDM4EHPGDCA2SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4290975-A | N-Sulfonyl amine-mediated sulfamation of amines | NUTRASWEET COMPANY THE | 1981-09-22 | — | — | US | disclosed |