Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291679 | 0.89 | NPC1 (0.48) | L3MBTL1HPGDCYP3A4CYP2C19MAOB | |
| SCHEMBL28963330 | 0.83 | MAOB (0.52) | MAOBMEN1KMT2A | |
| SCHEMBL28937118 | 0.81 | KMT2A (0.48) | ALDH1A1MAPTMEN1KMT2ATP53 | |
| SCHEMBL28937098 | 0.80 | HPGD (0.52) | TDP1L3MBTL1HPGDALDH1A1MAPT | |
| SCHEMBL28293229 | 0.78 | POLA1 (0.46) | POLA1TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL28291666 | 0.76 | KLKB1 (0.48) | — | |
| SCHEMBL28291792 | 0.73 | ALDH1A1 (0.47) | HPGDCYP1A2ALDH1A1 | |
| SCHEMBL29965404 | 0.72 | MAPT (0.49) | TDP1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28293226 | 0.72 | MAPT (0.49) | TDP1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28937103 | 0.71 | MAOB (0.52) | MAOBMEN1KMT2ATP53LMNA |
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-109721580-A | The plain derivative of 3- phenyl -7,8- dehydrogenation grapevine penta, its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-05-07 | — | — | CN | disclosed |