Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564205 | 0.78 | TYMS (0.43) | DHFR | |
| SCHEMBL9844768 | 0.74 | TBXAS1 (0.39) | ALDH1A1MAPT | |
| SCHEMBL9564148 | 0.73 | L3MBTL1 (0.45) | DHFRKDM4EALDH1A1HPGD | |
| SCHEMBL9564146 | 0.73 | L3MBTL1 (0.45) | DHFRKDM4EALDH1A1HPGD | |
| SCHEMBL7653891 | 0.70 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7708759 | 0.69 | KMT2A (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9001785 | 0.67 | TLR7 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9446061 | 0.66 | TLR8 (0.39) | DHFRSLC7A5TLR8TLR7 | |
| SCHEMBL12918481 | 0.66 | CDK1 (0.33) | — | |
| SCHEMBL422913 | 0.64 | LOXL2 (0.65) | CA12CA1CA2CA9CA14 |
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-0549291-A1 | Thymidylate synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |