Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1179129 | 0.79 | ACACB (0.32) | NFKB1NFKB2RELA | |
| SCHEMBL4514786 | 0.77 | ALDH1A1 (0.43) | AAK1USP30ALDH1A1 | |
| SCHEMBL29277587 | 0.76 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL25659553 | 0.75 | CA12 (0.40) | NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL5737167 | 0.75 | MAPT (0.42) | ALDH1A1 | |
| SCHEMBL1706932 | 0.72 | HDAC6 (0.38) | NFKB1NFKB2RELA | |
| SCHEMBL6529111 | 0.72 | GPR119 (0.46) | — | |
| SCHEMBL1401073 | 0.70 | PARP1 (0.46) | NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL12975492 | 0.69 | KMT2A (0.42) | SMYD3ALDH1A1 | |
| SCHEMBL2880301 | 0.68 | MLYCD (0.44) | SMYD3ALDH1A1 |
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-2023154758-A1 | A1H-BENZO[C][1,2]THIADIAZINE-2,2-DIOXIDES BEARING HETEROCYCLIC LINKERS AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS | GEORGETOWN UNIVERSITY (US) | 2023-08-17 | — | — | WO | disclosed |