Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL22635041 | 0.85 | CA1 (0.65) | CA1CA2CYP1A2F2PLG | |
| SCHEMBL28182973 | 0.82 | CA1 (0.61) | CA1CA2CYP1A2F2PLG | |
| SCHEMBL21076143 | 0.82 | CA1 (0.61) | CA1CA2CYP1A2F2PLG | |
| SCHEMBL23150 | 0.78 | CA1 (1.00) | CA1CA2CYP1A2CYP2A6CES2 | |
| SCHEMBL29612616 | 0.78 | CA1 (1.00) | CA1CA2CYP1A2CYP2A6CES2 | |
| SCHEMBL5952233 | 0.77 | CA1 (0.55) | CA1CA2CYP1A2F2PLG | |
| Hydrochloric Acid SCHEMBL27818196 | 0.76 | CA1 (0.95) | CA1CA2CYP1A2CYP2A6CES2 | |
| SCHEMBL14979413 | 0.74 | CA1 (0.68) | CA1CA2CYP1A2CYP2A6CES2 | |
| SCHEMBL5951121 | 0.73 | CA1 (0.50) | CA1CA2CYP1A2F2PLG | |
| SCHEMBL517925 | 0.73 | CA1 (0.50) | CA1CA2CYP1A2F2PLG |
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-2008016166-A1 | FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE | CANON KABUSHIKI KAISHA (JP) | 2008-02-07 | — | — | WO | disclosed |