Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | FABP4 | P15090 | 7/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15461561 | 1.00 | ALDH1A1 (0.56) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL2567982 | 0.83 | ALDH1A1 (0.55) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL14919732 | 0.83 | LDHA (0.56) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL639511 | 0.83 | ALDH1A1 (0.55) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL31425582 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL13719098 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL30493510 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL1415943 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL2568338 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 | |
| SCHEMBL3781603 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1FABP4MAPK1SMN1; SMN2 |
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-113801087-B | Benzo-six-membered ring derivatives as DPP-4 inhibitors and uses thereof | 山东百极地长制药有限公司 | 2024-08-30 | — | — | CN | disclosed |
| CN-113801088-B | Benzo six-membered ring derivative and application thereof | 山东百极地长制药有限公司 | 2024-04-26 | — | — | CN | disclosed |