Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14183228 | 0.84 | CA12 (0.42) | CA12CA1CA9GAASTAT3 | |
| SCHEMBL241884 | 0.83 | CA1 (0.52) | CA12CA1CA9GAASTAT3 | |
| SCHEMBL7070187 | 0.83 | MEN1 (0.42) | CA12CA1CA9GAAALDH1A1 | |
| SCHEMBL15455012 | 0.82 | PSMD10 (0.38) | CA12CA1CA9GAASTAT3 | |
| SCHEMBL2351882 | 0.82 | CA1 (0.42) | CA12CA1CA9ALDH1A1CA2 | |
| SCHEMBL18289524 | 0.82 | CA1 (0.50) | CA12CA1CA9GAASTAT3 | |
| SCHEMBL6906905 | 0.82 | CA1 (0.50) | CA12CA1CA9GAASTAT3 | |
| Ethylene SCHEMBL3466431 | 0.80 | CA1 (0.50) | CA12CA1CA9GAASTAT3 | |
| SCHEMBL890725 | 0.80 | ALDH1A1 (0.50) | CA12CA1CA9GAASTAT3 | |
| Water SCHEMBL7788572 | 0.80 | CA1 (0.50) | CA12CA1CA9GAASTAT3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2986604-B1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |
| WO-2014170197-A1 | PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-23 | — | — | WO | disclosed |
| WO-2010028116-A1 | MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS | MERCK SERONO S.A. (CH) | 2010-03-11 | — | — | WO | disclosed |