Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27045579 | 0.83 | SMN1; SMN2 (0.71) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL3774648 | 0.80 | FAAH (0.62) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL27045697 | 0.79 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL2228768 | 0.78 | RAB9A (0.57) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL15269497 | 0.77 | AR (0.52) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL27045809 | 0.76 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL3767910 | 0.74 | AR (0.58) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL18674588 | 0.74 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| Hydrochloric Acid SCHEMBL3766096 | 0.73 | AR (0.57) | SMN1; SMN2NPC1RAB9AL3MBTL1AR | |
| SCHEMBL22334799 | 0.72 | NOTUM (0.48) | NOTUMCYP2C19ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849018-B | Piperazine derivatives | 安斯泰来制药株式会社 | 2021-02-23 | — | — | CN | disclosed |