Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA7 | P43166 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 2/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.37 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8327745 | 0.82 | HDAC2 (0.56) | — | |
| SCHEMBL8324028 | 0.82 | NR1H4 (0.40) | CA12CA7CA9CA14CA1 | |
| SCHEMBL8323886 | 0.81 | NR1H4 (0.40) | NR1H4 | |
| SCHEMBL8325738 | 0.80 | HPGDS (0.43) | AKR1B10AKR1B1NR1H4HPGDS | |
| SCHEMBL15083789 | 0.77 | CA12 (0.60) | CA12CA7CA9CA14CA1 | |
| SCHEMBL28923725 | 0.77 | CA12 (0.60) | CA12CA7CA9CA14CA1 | |
| SCHEMBL8325209 | 0.76 | NR1H4 (0.49) | NR1H4 | |
| SCHEMBL8319501 | 0.76 | THRB (0.54) | — | |
| SCHEMBL8091741 | 0.76 | CA12 (0.66) | CA12CA7CA9CA14CA1 | |
| SCHEMBL14672565 | 0.76 | CA12 (0.66) | CA12CA7CA9CA14CA1 |
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-2004063169-A1 | HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-07-29 | — | — | WO | disclosed |