Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10274873 | 0.91 | KEAP1 (0.48) | KEAP1NFE2L2BCHEKMT2AEPHX1 | |
| SCHEMBL19022011 | 0.90 | KEAP1 (0.42) | KEAP1NFE2L2BCHEKMT2AEPHX1 | |
| SCHEMBL19022017 | 0.87 | KMT2A (0.38) | KEAP1NFE2L2BCHEKMT2A | |
| SCHEMBL26343654 | 0.86 | KEAP1 (0.45) | KEAP1NFE2L2USP30EPHX1ALDH1A1 | |
| SCHEMBL19010250 | 0.81 | MAP4K4 (0.38) | KEAP1NFE2L2BCHEEPHX1NCF1 | |
| SCHEMBL23894161 | 0.80 | NCF1 (0.36) | KEAP1NFE2L2USP30EPHX1NCF1 | |
| SCHEMBL12252175 | 0.78 | — | — | |
| SCHEMBL19000036 | 0.77 | CHRM5 (0.40) | KEAP1NFE2L2KMT2AALDH1A1 | |
| SCHEMBL26343670 | 0.77 | KEAP1 (0.46) | KEAP1NFE2L2USP30EPHX1ALDH1A1 | |
| SCHEMBL2558996 | 0.77 | NCF1 (0.43) | ALDH1A1NCF1 |
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-2017106607-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |