Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PDE1A | P54750 | 2/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL28344024 | 0.87 | CYP3A4 (0.43) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL8684158 | 0.83 | CYP3A4 (0.57) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL28344754 | 0.79 | CYP3A4 (0.53) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL15680233 | 0.76 | PDE1A (0.53) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL4110681 | 0.73 | KDM4E (0.57) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL6200978 | 0.70 | CYP3A4 (0.53) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL24210588 | 0.70 | CYP3A4 (0.53) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL28346987 | 0.70 | CYP3A4 (0.46) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL28881836 | 0.69 | CYP3A4 (0.51) | CYP3A4PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL5654965 | 0.69 | ALOX5 (0.64) | CYP3A4PDE1APDE1BPDE3BPDE1C |
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-110669031-B | Total synthesis method of natural product isoperidone J | 青岛海洋生物医药研究院股份有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-110669031-A | Total synthesis method of natural product isoperidone J | 青岛海洋生物医药研究院股份有限公司 | 2020-01-10 | — | — | CN | disclosed |