Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.49 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14165291 | 0.88 | CYP1A1 (0.61) | PDE4BCYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL2936310 | 0.88 | HDAC4 (0.56) | PDE4BHDAC4HDAC2HDAC8CYP1A1 | |
| SCHEMBL10306550 | 0.86 | PDE4B (0.57) | PDE4BHDAC4HDAC2HDAC8CYP1A1 | |
| SCHEMBL15906086 | 0.85 | SMN1; SMN2 (0.45) | PDE4BHTR7MEN1LMNAHPGD | |
| SCHEMBL29143285 | 0.84 | HTR7 (0.51) | PDE4BMAOBHTR7LMNAHPGD | |
| SCHEMBL3466479 | 0.84 | PDE4B (0.60) | PDE4BHTR7TSHRALOX5GABRA1 | |
| SCHEMBL13578434 | 0.83 | HTR7 (0.46) | PDE4BHDAC4HDAC2HDAC8HTR7 | |
| SCHEMBL4936949 | 0.80 | MAOB (0.54) | HDAC4HDAC8CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL8014205 | 0.80 | PDE4B (0.46) | PDE4BHDAC4HDAC2HDAC8CYP4F2 | |
| SCHEMBL3798654 | 0.80 | PTPN5 (0.49) | PDE4BMAOBLMNAHPGDCASR |
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-117186001-B | AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof | 南京中医药大学 | 2024-09-17 | — | — | CN | disclosed |
| CN-117186001-A | AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof | 南京中医药大学 | 2023-12-08 | — | — | CN | disclosed |