Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6819958 | 0.98 | APEX1 (0.40) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL9402856 | 0.89 | RXRA (0.37) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL31556870 | 0.87 | APEX1 (0.39) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL7115234 | 0.87 | APEX1 (0.39) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL9402893 | 0.84 | APEX1 (0.34) | APEX1CA1CA2CA9KDM4E | |
| SCHEMBL7615609 | 0.84 | APEX1 (0.34) | APEX1CA1CA2CA9CYP2C19 | |
| SCHEMBL2960192 | 0.84 | APEX1 (0.40) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL5608973 | 0.81 | CA1 (0.40) | APEX1CA1CA2CA9ALDH1A1 | |
| SCHEMBL28363499 | 0.81 | TDP1 (0.42) | CA2ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL9299329 | 0.81 | APEX1 (0.36) | APEX1CA1CA2CA9ALDH1A1 |
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-2002044188-A1 | PALLADACYCLIC COMPOUNDS CONTAINING PHOSPHORUS DONOR LIGANDS, THE LIGANDS AND THE USE OF THE COMPOUNDS IN C-C COUPLING REACTIONS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2002-06-06 | — | — | WO | disclosed |