Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 10/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 10/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL18641309 | 0.80 | GABRA1 (0.37) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL28577504 | 0.80 | MMP2 (0.40) | FFAR1 | |
| SCHEMBL30998202 | 0.76 | GABRA1 (0.35) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL3001118 | 0.76 | FFAR1 (0.40) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL27960959 | 0.75 | ACACB (0.40) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL18316997 | 0.75 | FFAR1 (0.42) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL25011091 | 0.75 | FFAR1 (0.48) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL30223758 | 0.74 | FFAR1 (0.69) | FFAR1ACACB | |
| SCHEMBL5096641 | 0.74 | FFAR1 (0.37) | GABRA1GABRA5GABRG2GABRB3GABRA3 | |
| SCHEMBL4370752 | 0.73 | FFAR1 (0.43) | GABRA1GABRA5GABRG2GABRB3GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116157398-A | 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy | 意大发马克股份公司 | 2023-05-23 | — | — | CN | disclosed |