Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA9 | Q16790 | 9/20 | 0.47 |
| ▸ | CA12 | O43570 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tannin Pyrogallol SCHEMBL27591599 | 0.87 | CA1 (0.56) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL29000704 | 0.85 | KIF11 (0.46) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL28037892 | 0.85 | CA12 (0.43) | CA2CA9CA12ALDH1A1TDP1 | |
| Biphenyl SCHEMBL793192 | 0.82 | ALDH1A1 (0.60) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL15879480 | 0.79 | ALDH1A1 (0.56) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL5891023 | 0.79 | ALDH1A1 (0.60) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL150162 | 0.79 | ALDH1A1 (0.60) | CA2CA9CA12ALDH1A1TDP1 | |
| SCHEMBL8756839 | 0.77 | CA12 (0.38) | CA2CA9CA12ALDH1A1TDP1 | |
| Water SCHEMBL7024182 | 0.77 | ALDH1A1 (0.57) | CA2CA9CA12ALDH1A1TDP1 | |
| Sulfuric Acid SCHEMBL28579626 | 0.75 | CA5A (0.50) | CA2CA9CA12ALDH1A1HSD17B10 |
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-5045547-A | Leukotriene-inhibiting substituted (quinolin-2-yl-methoxy)phenyl-N,N'-sulphonylureas and use thereas | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |