Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9851267 | 1.00 | BUB1 (0.35) | BUB1STAT3CA12CA1CA2 | |
| SCHEMBL9851250 | 0.85 | STAT3 (0.37) | BUB1STAT3CA12CA1CA2 | |
| SCHEMBL9089235 | 0.80 | CYP4A11 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9089230 | 0.80 | CYP4A11 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27312730 | 0.77 | CA12 (0.40) | BUB1STAT3CA12CA1CA2 | |
| SCHEMBL9084551 | 0.77 | CYP4A11 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9084555 | 0.77 | CYP4A11 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9089152 | 0.75 | CYP4A11 (0.41) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9089148 | 0.75 | CYP4A11 (0.41) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2130053 | 0.74 | STAT3 (0.44) | BUB1STAT3CA12CA1CA2 |
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-0431953-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-12 | — | — | EP | disclosed |