Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28293230 | 0.89 | POLA1 (0.46) | CYP3A4CYP2C19KMT2AMAOBHPGD | |
| SCHEMBL28937098 | 0.84 | HPGD (0.52) | NPC1RAB9AKMT2AHPGDALDH1A1 | |
| SCHEMBL28937083 | 0.80 | NPC1 (0.52) | NPC1RAB9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28873073 | 0.78 | NPC1 (0.50) | NPC1RAB9AEGFRCYP3A4CYP2C9 | |
| SCHEMBL29965092 | 0.77 | KMT2A (0.49) | CYP3A4KMT2AHPGDALDH1A1MEN1 | |
| SCHEMBL29965991 | 0.77 | ESR1 (0.45) | NPC1RAB9AEGFRCYP3A4KMT2A | |
| SCHEMBL28963333 | 0.77 | KMT2A (0.49) | CYP3A4KMT2AHPGDALDH1A1MEN1 | |
| SCHEMBL28293234 | 0.77 | ESR1 (0.45) | NPC1RAB9AEGFRCYP3A4KMT2A | |
| SCHEMBL28293227 | 0.77 | CYP2C19 (0.51) | NPC1RAB9AEGFRCYP3A4CYP2C9 | |
| SCHEMBL28291878 | 0.77 | PTGS1 (0.58) | NPC1RAB9AKMT2AMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721580-B | 3-phenyl-7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |
| 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 |