Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3313868 | 1.00 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| Trifluoroacetic Acid SCHEMBL3318885 | 0.94 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL3963092 | 0.83 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL21473938 | 0.83 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL1571968 | 0.83 | PRMT3 (0.52) | SYK | |
| SCHEMBL3311427 | 0.82 | DYRK1A (0.56) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL3318827 | 0.82 | DYRK1A (0.47) | ALDH1A1DYRK1AGPR119CCNA2CDK2 | |
| SCHEMBL1876139 | 0.81 | GPR119 (0.65) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL31023936 | 0.81 | GPR119 (0.65) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL3312818 | 0.81 | IDO1 (0.51) | GPR119NAMPTSYK |
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-114867719-B | Pyrrolidine and piperidine compounds | 柳韩洋行 | 2024-06-25 | — | — | CN | disclosed |
| CN-114867719-A | Pyrrolidine and piperidine compounds | 柳韩洋行 | 2022-08-05 | — | — | CN | disclosed |