Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CD38 | P28907 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25912411 | 0.83 | ABL1 (0.49) | DPP4PRKAA2NPC1PARP1MCHR1 | |
| SCHEMBL25093457 | 0.79 | NPC1 (0.45) | DPP4SMYD3PRKAA2NPC1PARP1 | |
| SCHEMBL16741143 | 0.76 | PARP1 (0.56) | SMYD3PRKAA2PARP1CD38HSD11B1 | |
| SCHEMBL16741249 | 0.74 | SMYD3 (0.45) | DPP4SMYD3PRKAA2NPC1ALDH1A1 | |
| SCHEMBL24956354 | 0.74 | SMYD3 (0.51) | DPP4SMYD3NPC1MCHR1ALDH1A1 | |
| SCHEMBL31510149 | 0.73 | SMYD3 (0.46) | DPP4SMYD3PRKAA2PARP1HSD11B1 | |
| SCHEMBL25698486 | 0.73 | CHRM4 (0.49) | DPP4SMYD3NPC1PARP1ALDH1A1 | |
| SCHEMBL9908373 | 0.73 | SMYD3 (0.56) | SMYD3PRKAA2NPC1PARP1RAB9A | |
| SCHEMBL25323925 | 0.72 | PARP1 (0.52) | SMYD3PRKAA2PARP1CD38HSD11B1 | |
| SCHEMBL31487383 | 0.71 | CD38 (0.38) | DPP4PRKAA2NPC1PARP1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134647-A1 | PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 优领医药科技(香港)有限公司 | 2023-07-20 | — | — | WO | disclosed |