Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | SCD | O00767 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12421889 | 0.82 | NPC1 (0.49) | CA1CA2CA12CA9NPC1 | |
| SCHEMBL4818576 | 0.82 | RAB9A (0.63) | CA1CA2CA12CA9CA14 | |
| SCHEMBL18364957 | 0.82 | CA12 (0.52) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28856783 | 0.82 | CA2 (0.68) | CA1CA2CA12CA9CA14 | |
| SCHEMBL7210123 | 0.78 | CA12 (0.68) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28424059 | 0.78 | HPGD (0.66) | NAMPTNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17479849 | 0.78 | CA1 (0.63) | CA1CA2CA9NPC1KMT2A | |
| SCHEMBL22231444 | 0.77 | MAPT (0.54) | CA1CA2CA12CA9CA14 | |
| SCHEMBL18704333 | 0.77 | ATM (0.64) | CA1CA2CA12CA9CA14 | |
| SCHEMBL17670798 | 0.77 | EPHX2 (0.59) | CA1CA2CA12CA9CA14 |
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 |