Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873073 | 0.85 | NPC1 (0.50) | CYP2C19CYP3A4CYP2C9NPC1RAB9A | |
| SCHEMBL28291679 | 0.77 | NPC1 (0.48) | CYP2C19CYP3A4CYP2C9NPC1RAB9A | |
| SCHEMBL30081082 | 0.70 | HPGD (0.53) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL28873062 | 0.70 | HPGD (0.53) | NPC1RAB9AKMT2AMEN1ESR1 | |
| SCHEMBL28873083 | 0.69 | NPC1 (0.53) | NPC1RAB9AKMT2AMEN1ATM | |
| SCHEMBL28873084 | 0.68 | XDH (0.53) | CYP2C19CYP3A4CYP2C9KMT2AMEN1 | |
| SCHEMBL30081081 | 0.68 | XDH (0.53) | CYP2C19CYP3A4CYP2C9KMT2AMEN1 | |
| SCHEMBL6568470 | 0.68 | EGFR (0.68) | RAB9AEGFRALDH1A1HPGD | |
| SCHEMBL28293230 | 0.67 | POLA1 (0.46) | CYP2C19CYP3A4KMT2AMEN1MAOB | |
| SCHEMBL28291676 | 0.66 | EGFR (0.48) | CYP2C19CYP3A4CYP2C9NPC1RAB9A |
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 |