Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 5/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.33 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31020102 | 1.00 | KCNQ2 (0.40) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL30487421 | 0.93 | KCNQ2 (0.39) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL26184003 | 0.85 | KCNQ2 (0.46) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL30487460 | 0.83 | RAB9A (0.45) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL25248236 | 0.83 | RAB9A (0.45) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL31020061 | 0.81 | KCNQ2 (0.44) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL31019999 | 0.79 | RAB9A (0.45) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL25285736 | 0.79 | RAB9A (0.45) | KCNQ2RAB9AJAK2JAK1TYK2 | |
| SCHEMBL25246524 | 0.79 | KCNQ2 (0.50) | KCNQ2JAK2JAK1TYK2JAK3 | |
| SCHEMBL30487403 | 0.79 | KCNQ2 (0.50) | KCNQ2JAK2JAK1TYK2JAK3 |
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 |