Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL18488343 | 0.80 | TYR (0.47) | — | |
| SCHEMBL29956336 | 0.80 | TYR (0.47) | — | |
| SCHEMBL18488056 | 0.80 | ALDH1A1 (0.39) | NFE2L2SLC9A1PDE2A | |
| SCHEMBL23718577 | 0.78 | CNR2 (0.41) | NFE2L2 | |
| SCHEMBL8345423 | 0.73 | NFE2L2 (0.50) | NFE2L2 | |
| SCHEMBL31079293 | 0.72 | GABRA1 (0.46) | SLC9A1 | |
| SCHEMBL13088831 | 0.72 | GABRA1 (0.44) | NFE2L2 | |
| SCHEMBL12261433 | 0.72 | GABRA1 (0.46) | SLC9A1 | |
| SCHEMBL20738711 | 0.72 | GABRA1 (0.39) | SLC9A1PDE2A | |
| SCHEMBL18493885 | 0.72 | RPS6KA3 (0.30) | SLC9A1 |
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-2017023905-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |