Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | CDC25B | P30305 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL668679 | 0.83 | TSHR (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14911017 | 0.82 | LMNA (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29887291 | 0.82 | LMNA (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6832742 | 0.81 | TDP1 (0.68) | TSHRALDH1A1RAB9ACYP1A2 | |
| SCHEMBL7728983 | 0.79 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1235309 | 0.78 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL340364 | 0.78 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| Ethyl Salicylate SCHEMBL1870434 | 0.78 | TSHR (0.77) | CA12CA1CA2CA7CA9 | |
| Ethyl Salicylate SCHEMBL29501114 | 0.78 | TSHR (0.77) | CA12CA1CA2CA7CA9 | |
| Ethyl Salicylate SCHEMBL39622 | 0.78 | TSHR (0.77) | CA12CA1CA2CA7CA9 |
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-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | disclosed |