Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 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 | |
|---|---|---|---|---|
| Trientine SCHEMBL8562243 | 0.98 | CA12 (0.41) | CA12CA2CA9HSD17B10KDM4E | |
| Trientine SCHEMBL29145954 | 0.86 | CA12 (0.52) | CA12CA2CA9HSD17B10KDM4E | |
| Catechol SCHEMBL28294850 | 0.86 | CA12 (0.52) | CA12CA2CA9HSD17B10KDM4E | |
| Catechol SCHEMBL8565660 | 0.82 | ALDH1A1 (0.43) | CA12CA2HSD17B10KDM4ETSHR | |
| Catechol SCHEMBL6887106 | 0.78 | ALDH1A1 (0.62) | CA12CA2HSD17B10KDM4ETSHR | |
| Dimethyl Sulfoxide SCHEMBL28109211 | 0.78 | CA12 (0.62) | CA12CA2CA9HSD17B10KDM4E | |
| Orthocresol SCHEMBL29145945 | 0.77 | CA12 (0.42) | CA12CA2CA9HSD17B10KDM4E | |
| Orthocresol SCHEMBL29145949 | 0.77 | CA12 (0.42) | CA12CA2CA9HSD17B10KDM4E | |
| Trientine SCHEMBL29145929 | 0.77 | CA12 (0.42) | CA12CA2CA9HSD17B10KDM4E | |
| Trientine SCHEMBL29145944 | 0.73 | ALDH1A1 (0.58) | CA12CA2CA9HSD17B10KDM4E |
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-5795702-A | MIXTURE OF HYDROXYLAMINE, WATER, AMINE, SOLVENT AND CORROSION INHIBITOR | TOKYO OHKA KOGYO CO, LTD. (JP) | 1998-08-18 | — | — | US | disclosed |