Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GGT1 | P19440 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15090588 | 0.86 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2478066 | 0.84 | KDM4E (0.56) | MAPK1KDM4EHSD17B10HPGDALDH1A1 | |
| SCHEMBL551925 | 0.84 | ALDH1A1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL551924 | 0.84 | HPGD (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3374452 | 0.82 | ALOX15 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3374458 | 0.82 | MEN1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27633371 | 0.81 | CA12 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3377283 | 0.80 | HCRTR1 (0.45) | CA12CA9MAPK1KDM4EHSD17B10 | |
| SCHEMBL3377281 | 0.80 | CA12 (0.43) | CA12CA9MAPK1KDM4EALDH1A1 | |
| Biphenyl SCHEMBL4470317 | 0.80 | CDC25B (0.45) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-3932419-A | QUINOLINE DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-13 | — | — | US | disclosed |