Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564178 | 0.88 | CA12 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9564183 | 0.88 | CA12 (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9564211 | 0.83 | CA12 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9564205 | 0.80 | TYMS (0.43) | DHFRTYMS | |
| SCHEMBL8997200 | 0.74 | NAMPT (0.42) | DHFRTYMS | |
| SCHEMBL9564174 | 0.74 | DHFR (0.60) | CA1CA2DHFRTYMS | |
| SCHEMBL9564140 | 0.73 | L3MBTL1 (0.46) | DHFRTYMS | |
| SCHEMBL9564141 | 0.73 | L3MBTL1 (0.46) | DHFRTYMS | |
| SCHEMBL9564224 | 0.70 | MAPT (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9564187 | 0.69 | FOLR1 (0.34) | DHFRTYMS |
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 |