Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.40 |
| ▸ | ENPEP | Q07075 | 4/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL4231253 | 0.80 | PTGS1 (0.37) | PTGS1SLC7A11ENPEPFOLH1KDM4E | |
| SCHEMBL18918255 | 0.78 | CHRM1 (0.32) | MAPTBLMTDP1 | |
| SCHEMBL5688214 | 0.76 | OR51E2 (0.39) | — | |
| SCHEMBL1234369 | 0.76 | OR51E2 (0.39) | — | |
| SCHEMBL27807645 | 0.76 | — | — | |
| SCHEMBL7408924 | 0.75 | PTGS1 (0.48) | PTGS1SLC7A11ENPEP | |
| SCHEMBL18918256 | 0.74 | HSPD1 (0.40) | FOLH1MAPTRECQLBLMCPB2 | |
| SCHEMBL17469430 | 0.74 | CHRM1 (0.35) | MAPTBLMTDP1CYP2C9 | |
| SCHEMBL16450505 | 0.74 | PTGS1 (0.40) | PTGS1SLC7A11ENPEPFOLH1KDM4E | |
| SCHEMBL1598761 | 0.74 | TSHR (0.32) | LMNA |
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-4154935-A | Halogen substituted mercaptoacylamino acids | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |