Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27805556 | 0.88 | IDO1 (0.50) | IDO1EP300KAT8HTR2CSLC6A4 | |
| SCHEMBL28705020 | 0.83 | IDO1 (0.46) | NPC1IDO1EP300KAT8HTR2C | |
| SCHEMBL22857363 | 0.81 | PDE10A (0.39) | NPC1IDO1EP300KAT8HTR2C | |
| SCHEMBL30735498 | 0.81 | HTR2C (0.66) | HTR2CSLC6A4 | |
| SCHEMBL19284730 | 0.81 | HTR2C (0.66) | HTR2CSLC6A4 | |
| SCHEMBL22857366 | 0.79 | PDE4A (0.45) | NPC1IDO1EP300KAT8HTR2C | |
| SCHEMBL28712890 | 0.77 | IMPDH2 (0.44) | IDO1EP300KAT8HTR2CIMPDH2 | |
| SCHEMBL20777893 | 0.77 | ALDH1A1 (0.43) | HTR2CSLC6A4F2PLGPLAU | |
| Hydrochloric Acid SCHEMBL28697686 | 0.76 | IMPDH2 (0.43) | IDO1EP300KAT8HTR2CIMPDH2 | |
| SCHEMBL20765234 | 0.75 | F2 (0.39) | HTR2CF2PLGPLAUPLAT |
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 5 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 |
| CN-113801087-A | Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof | 山东百极地长制药有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-113801088-A | Benzo-six-membered ring derivative and application thereof | 山东百极地长制药有限公司 | 2021-12-17 | — | — | CN | disclosed |
| WO-2021249566-A1 | BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF | 山东百极地长制药有限公司 | 2021-12-16 | — | — | WO | disclosed |