Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 10/20 | 0.62 |
| ▸ | CA12 | O43570 | 8/20 | 0.62 |
| ▸ | CA2 | P00918 | 5/20 | 0.62 |
| ▸ | CA3 | P07451 | 5/20 | 0.62 |
| ▸ | CA4 | P22748 | 5/20 | 0.62 |
| ▸ | CA5A | P35218 | 5/20 | 0.62 |
| ▸ | CA7 | P43166 | 5/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.62 |
| ▸ | CA6 | P23280 | 4/20 | 0.62 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30843838 | 0.81 | CA12 (0.75) | CA9CA12CA2CA3CA4 | |
| SCHEMBL21657215 | 0.81 | CA12 (0.65) | CA9CA12CA2CA3CA4 | |
| SCHEMBL4927952 | 0.81 | CA12 (0.75) | CA9CA12CA2CA3CA4 | |
| Benzylacetone SCHEMBL28065327 | 0.79 | ALDH1A1 (0.60) | CA9CA12CA2CA3CA4 | |
| SCHEMBL23329308 | 0.78 | CA12 (0.61) | CA9CA12CA2CA3CA4 | |
| SCHEMBL11097788 | 0.78 | KDM4E (0.53) | KDM4ESMN1; SMN2NPC1LMNATP53 | |
| SCHEMBL31745723 | 0.78 | KDM4E (0.53) | KDM4ESMN1; SMN2NPC1LMNATP53 | |
| SCHEMBL8750141 | 0.77 | CA12 (0.69) | CA9CA12CA2CA3CA4 | |
| SCHEMBL10350668 | 0.77 | CA12 (1.00) | CA9CA12CA2CA3CA4 | |
| SCHEMBL3663606 | 0.77 | CA12 (0.69) | CA9CA12CA2CA3CA4 |
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-2477698-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | Centre National de la Recherche Scientifique (FR) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033115-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-03-24 | — | — | WO | disclosed |