Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293229 | 0.89 | POLA1 (0.46) | CYP3A4CYP2C19KMT2AMEN1MAPK1 | |
| SCHEMBL28873437 | 0.78 | EGFR (0.47) | EGFRCYP3A4CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL28291877 | 0.77 | PTGS1 (0.58) | KMT2ANPC1RAB9AMEN1POLB | |
| SCHEMBL28291679 | 0.77 | NPC1 (0.48) | EGFRCYP3A4CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL28291784 | 0.75 | ALDH1A1 (0.45) | HPGDLMNAGAAL3MBTL1POLB | |
| SCHEMBL28291665 | 0.75 | KLKB1 (0.46) | — | |
| SCHEMBL28291786 | 0.73 | P2RX1 (0.49) | KMT2ANPC1RAB9AMEN1MAOB | |
| SCHEMBL6568470 | 0.69 | EGFR (0.68) | EGFRRAB9AHPGDLMNA | |
| SCHEMBL28873073 | 0.69 | NPC1 (0.50) | EGFRCYP3A4CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL31680569 | 0.67 | KMT2A (0.89) | CYP3A4CYP2C9CYP2C19CHRNB2CHRNB4 |
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 |