Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7157768 | 1.00 | TRPA1 (0.35) | TRPA1TSHRLMNAMAPK1SCN4A | |
| SCHEMBL19052339 | 0.70 | — | — | |
| SCHEMBL17843451 | 0.66 | TRPA1 (0.39) | TRPA1TSHRPOLBCYP3A4PARP1 | |
| SCHEMBL379612 | 0.65 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL379614 | 0.65 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL3222323 | 0.65 | TRPA1 (0.41) | TRPA1TSHRLMNAMAPK1SCN4A | |
| Fluoride SCHEMBL28557472 | 0.64 | TRPA1 (0.32) | TRPA1 | |
| SCHEMBL1656527 | 0.63 | TSHR (0.33) | TSHRLMNAMAPK1SCN4ASCN5A | |
| SCHEMBL7922049 | 0.63 | TSHR (0.33) | TSHRLMNAMAPK1SCN4ASCN5A | |
| SCHEMBL2186647 | 0.62 | KDM4E (0.33) | TRPA1LMNAPOLBMAPTRECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003014105-A9 | BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-11-20 | — | — | WO | disclosed |