Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011054 | 0.86 | TYR (0.47) | TRPA1PTGS1CACNA1CTYRALDH1A1 | |
| SCHEMBL11967045 | 0.80 | AURKA (0.39) | TRPA1PTGS1CACNA1CTYRALDH1A1 | |
| SCHEMBL25519630 | 0.80 | AURKA (0.49) | TRPA1PTGS1CACNA1CAURKADAPK3 | |
| SCHEMBL20201897 | 0.79 | AURKA (0.38) | TRPA1PTGS1CACNA1CTYRALDH1A1 | |
| SCHEMBL12545963 | 0.79 | NR4A2 (0.56) | ALDH1A1HTTGAAALOX12HIF1A | |
| SCHEMBL2658022 | 0.76 | HTR1A (0.54) | TRPA1ALDH1A1TLR8KDM4ETP53 | |
| SCHEMBL14572004 | 0.75 | EGFR (0.40) | TRPA1PTGS1CACNA1CTYRALDH1A1 | |
| SCHEMBL28164080 | 0.75 | TLR8 (0.54) | ALDH1A1HTTGAARETTLR8 | |
| SCHEMBL29509132 | 0.75 | TLR8 (0.54) | ALDH1A1HTTGAARETTLR8 | |
| SCHEMBL8600105 | 0.73 | TLR8 (0.35) | TLR8TDP1SMN1; SMN2MEN1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5773449-A | BACTERICIDES FOR HELICOBACTER | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0786454-A1 | THIOQUINOLONE DERIVATIVE | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 1997-07-30 | — | — | EP | disclosed |