Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 15/20 | 0.52 |
| ▸ | CA1 | P00915 | 12/20 | 0.52 |
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | CA5A | P35218 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL283836 | 0.82 | CA2 (0.70) | KIF11CA2CA1CA12CA9 | |
| SCHEMBL792636 | 0.82 | KIF11 (0.88) | KIF11CA2CA1CA12CA9 | |
| SCHEMBL28345242 | 0.82 | CA2 (0.59) | KIF11CA2CA1CA12CA9 | |
| SCHEMBL9492276 | 0.80 | KIF11 (0.84) | KIF11CA2CA1CA12CA9 | |
| Iodide SCHEMBL28551007 | 0.80 | KIF11 (0.84) | KIF11CA2CA1CA12CA9 | |
| Hydrochloric Acid SCHEMBL29970350 | 0.80 | KIF11 (0.84) | KIF11CA2CA1CA12CA9 | |
| Iodide SCHEMBL28552462 | 0.80 | CA2 (0.68) | KIF11CA2CA1CA12CA9 | |
| SCHEMBL20680957 | 0.80 | KIF11 (0.59) | KIF11CA2CA1CA12CA9 | |
| SCHEMBL28359568 | 0.80 | PTGS2 (0.51) | KIF11PTGS2 | |
| SCHEMBL624592 | 0.80 | CA2 (0.68) | KIF11CA2CA1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |