Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 6/20 | 0.44 |
| ▸ | EDNRA | P25101 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | CYTH2 | Q99418 | 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 | |
|---|---|---|---|---|
| SCHEMBL8478994 | 0.92 | ALDH1A1 (0.48) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL8473880 | 0.87 | KMT2A (0.48) | ALDH1A1MEN1KMT2AFFAR4LMNA | |
| Benzenesulfonamide SCHEMBL7775578 | 0.87 | PTGS2 (0.48) | ALDH1A1MT-CO2PTGS2NPSR1TSHR | |
| SCHEMBL8477521 | 0.83 | ALDH1A1 (0.58) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL8597059 | 0.83 | PTGS2 (0.45) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL8475016 | 0.81 | ALDH1A1 (0.49) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL8477499 | 0.80 | PTGS2 (0.42) | ALDH1A1PTGS2TSHRMAPK1MEN1 | |
| SCHEMBL7144772 | 0.76 | ALDH1A1 (0.52) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL6435523 | 0.76 | ALDH1A1 (0.63) | ALDH1A1PKMMT-CO2PTGS2NPSR1 | |
| SCHEMBL8473859 | 0.76 | PTGS2 (0.53) | ALDH1A1PKMMT-CO2PTGS2NPSR1 |
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-5859257-A | ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS | G. D. SEARLE & CO. (US) | 1999-01-12 | — | — | US | disclosed |