Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28388910 | 0.80 | NR1H4 (0.36) | NR1H4ALDH1A1GAAMAPK1 | |
| SCHEMBL1421217 | 0.79 | ALDH1A1 (0.42) | CA1CA2LPAR1NR1H4ALDH1A1 | |
| SCHEMBL28470914 | 0.77 | CA1 (0.61) | CA1CA2ALDH1A1GAACYP3A4 | |
| SCHEMBL30379826 | 0.74 | KDM4E (0.38) | ALDH1A1GAAMAPK1 | |
| SCHEMBL4079803 | 0.73 | TDP1 (0.44) | CA2ALDH1A1GAAMAPK1ALOX15 | |
| SCHEMBL28392011 | 0.73 | LMNA (0.46) | CA1CA2NR1H4ALDH1A1GAA | |
| SCHEMBL28532037 | 0.73 | ALDH1A1 (0.36) | ALDH1A1GAAUSP2SMN1; SMN2LMNA | |
| SCHEMBL28526641 | 0.71 | KDM4E (0.36) | ALDH1A1GAAMAPK1SMN1; SMN2MEN1 | |
| SCHEMBL27809731 | 0.71 | CA1 (0.53) | CA1CA2ALDH1A1GAACYP3A4 | |
| SCHEMBL27487685 | 0.69 | CA2 (0.57) | CA1CA2NR1H4ALDH1A1GAA |
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-111116469-A | HDAC inhibitor, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2020-05-08 | — | — | CN | disclosed |