Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2483954 | 0.80 | CA12 (0.40) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL1075365 | 0.80 | CA12 (0.40) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL8645906 | 0.77 | LPAR3 (0.46) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL7132609 | 0.74 | CHRM2 (0.39) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL8641429 | 0.73 | CA12 (0.39) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL28525785 | 0.73 | TDP1 (0.50) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL3029332 | 0.70 | CYP3A4 (0.46) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL21981138 | 0.70 | MEN1 (0.35) | TDP1 | |
| SCHEMBL7132612 | 0.70 | CHRM2 (0.41) | CA12CA2CA9CA1CHRM2 | |
| SCHEMBL5176752 | 0.70 | CHRM2 (0.37) | CA12CA2CA9CA1CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276510-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | Human Biomolecular Research Institute (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010039163-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2010-04-08 | — | — | WO | disclosed |