Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL379565 | 0.86 | KIF11 (0.59) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL20149636 | 0.85 | KIF11 (0.64) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL1099894 | 0.84 | KIF11 (0.57) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL29180056 | 0.82 | KIF11 (0.55) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL2635916 | 0.82 | KIF11 (0.55) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL2514897 | 0.80 | CA12 (0.67) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL69655 | 0.80 | KIF11 (0.86) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL29244941 | 0.80 | KIF11 (0.64) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL2998724 | 0.80 | KIF11 (0.64) | KIF11CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL678344 | 0.80 | KIF11 (0.64) | KIF11CYP2A6ALDH1A1CA12CA2 |
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-2009060278-A1 | CYCLOBUTYL CARBOXYLIC ACID DERIVATIVES | PFIZER INC. (US) | 2009-05-14 | — | — | WO | disclosed |