Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15258011 | 0.84 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9965252 | 0.84 | TLR8 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9965281 | 0.82 | MAPT (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12839855 | 0.79 | MCL1 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13192354 | 0.78 | CA12 (0.47) | CA12CA1CA2CA9ENPP3 | |
| SCHEMBL28167268 | 0.78 | ALDH1A1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13262306 | 0.77 | DHFR (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18568364 | 0.76 | CYP1A2 (0.47) | ALDH1A1CYP2A6CYP1A2HPGD | |
| SCHEMBL22517355 | 0.75 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30719629 | 0.75 | PTGS1 (0.53) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083300-A1 | ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-21 | — | — | WO | disclosed |