Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.42 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.42 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.42 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.42 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28854331 | 0.87 | HTR7 (0.51) | HTR7CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28517574 | 0.84 | ABL1 (0.46) | HTR7CLK4ABCB1 | |
| SCHEMBL20957481 | 0.83 | PDCD1 (0.44) | HTR7CYP2A6ALDH1A1CD274MAPK1 | |
| SCHEMBL2020140 | 0.75 | ABL1 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9078093 | 0.75 | ALDH1A1 (0.40) | ALDH1A1ABCB1TSHRMAPK1 | |
| SCHEMBL8279410 | 0.74 | MGAT2 (0.57) | HTR7CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3388700 | 0.74 | MAPK1 (0.46) | HTR7CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL12490805 | 0.73 | MGAT2 (0.56) | HTR7CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14318443 | 0.73 | SMARCA2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5094201 | 0.73 | FNTA (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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 |