Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | KCNQ4 | P56696 | 4/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 4/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31020099 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL31019991 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL25293405 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL25287765 | 0.81 | POLB (0.39) | SMN1; SMN2POLBATM | |
| SCHEMBL25287981 | 0.79 | CYP1A2 (0.66) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL25774737 | 0.79 | CYP1A2 (0.57) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL30487333 | 0.77 | CYP1A2 (0.80) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL25774746 | 0.77 | CYP1A2 (0.80) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL31020133 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL25287264 | 0.75 | NR1D1 (0.40) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024067819-A1 | PIPERIDINE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2024-04-04 | — | — | WO | disclosed |
| WO-2023125935-A1 | BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |