Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28388909 | 0.78 | GAA (0.35) | ALDH1A1GAAKDM4EPTGDR2NR1H4 | |
| SCHEMBL1421221 | 0.78 | ALDH1A1 (0.46) | LMNACYP3A4TP53HPGDALOX15 | |
| SCHEMBL28532035 | 0.74 | KDM4E (0.39) | ALOX15ALDH1A1L3MBTL1HTTRARA | |
| SCHEMBL15422590 | 0.73 | NR1H4 (0.42) | LMNAALOX15ALDH1A1RARARARB | |
| SCHEMBL28392012 | 0.73 | CA1 (0.47) | LMNACYP3A4TP53HPGDALOX15 | |
| SCHEMBL92809 | 0.72 | CYP3A4 (0.64) | LMNACYP3A4TP53HPGDALOX15 | |
| SCHEMBL28526640 | 0.72 | KDM4E (0.45) | HPGDALOX15ALDH1A1L3MBTL1HTT | |
| SCHEMBL19393881 | 0.71 | CYP3A4 (0.53) | LMNACYP3A4TP53HPGDALOX15 | |
| SCHEMBL12781654 | 0.70 | CYP3A4 (0.68) | LMNACYP3A4TP53HPGDALOX15 | |
| SCHEMBL16767200 | 0.70 | ALDH1A1 (0.50) | LMNAHPGDALOX15ALDH1A1L3MBTL1 |
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 |