Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.54 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.54 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.54 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.54 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.54 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.54 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.54 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7875685 | 1.00 | ACHE (0.55) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL15906120 | 0.87 | ACHE (0.52) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL4925801 | 0.86 | CYP1A1 (0.69) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL14003485 | 0.86 | MAPT (0.49) | CYP3A4ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL277912 | 0.84 | ACHE (0.57) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL18087597 | 0.84 | SMARCA2 (0.46) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL18087562 | 0.84 | MAOB (0.53) | ACHEHDAC4HDAC2HDAC8MAOB | |
| SCHEMBL18087565 | 0.84 | LMNA (0.58) | ACHECYP3A4HDAC4HDAC2HDAC8 | |
| SCHEMBL30112655 | 0.83 | CYP3A4 (0.69) | ACHECYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL1673262 | 0.82 | PTGDR2 (0.58) | ACHECYP3A4MAOBALDH1A1SMN1; SMN2 |
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 |