Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20732867 | 1.00 | HDAC4 (0.48) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL3041526 | 0.94 | HDAC4 (0.55) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL1952963 | 0.83 | HDAC4 (0.54) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL1952965 | 0.83 | HDAC4 (0.54) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL17484143 | 0.83 | CTSK (0.55) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL4704612 | 0.82 | KMT2A (0.53) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL21285678 | 0.80 | BTK (0.39) | HDAC4HDAC1HDAC6CA1CA2 | |
| SCHEMBL20721311 | 0.80 | MMP2 (0.44) | EPHX1KMT2AMMP2MMP3 | |
| SCHEMBL20721309 | 0.80 | MMP2 (0.44) | EPHX1KMT2AMMP2MMP3 | |
| SCHEMBL25174673 | 0.78 | HDAC4 (0.58) | HDAC4HDAC1HDAC6CA1CA2 |
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-111225900-A | 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use | 阿勒根公司 | 2020-06-02 | — | — | CN | disclosed |