Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7224249 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GAATDP1KCNJ11PTGS1 | |
| SCHEMBL6354671 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1KCNJ11MAPTCA1 | |
| SCHEMBL31218457 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KCNJ11MAPTCA1CA2 | |
| SCHEMBL21979989 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KCNJ11MAPTCA1CA2 | |
| SCHEMBL25096707 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KCNJ11MAPTCA1CA2 | |
| SCHEMBL7223876 | 0.74 | ALDH1A1 (0.52) | ALDH1A1GAATDP1KCNJ11PTGS1 | |
| SCHEMBL7224330 | 0.74 | ALDH1A1 (0.72) | ALDH1A1GAATDP1PTGS1PTGS2 | |
| SCHEMBL8528629 | 0.74 | AKR1C3 (0.52) | ALDH1A1PTGS1MAPTMEN1KMT2A | |
| SCHEMBL31210947 | 0.72 | ALOX15 (0.47) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27899868 | 0.72 | ALDH1A1 (0.37) | ALDH1A1KCNJ11MAPTCA1CA2 |
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-6521603-B2 | Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring | MONSANTO TECHNOLOGY LLC | 2003-02-18 | — | — | US | claimed |