Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.41 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13719433 | 0.81 | CMA1 (0.41) | SLC6A2MMP1MMP2MMP9MMP12 | |
| Hydrochloric Acid SCHEMBL9296314 | 0.80 | CYP27A1 (0.40) | CYP27A1CYP24A1SLC6A2MMP1MMP2 | |
| SCHEMBL30569683 | 0.79 | CMA1 (0.44) | SLC6A2TAAR1IDO1SLC6A4 | |
| SCHEMBL30569687 | 0.78 | PYCR1 (0.38) | IDO1SLC6A4P2RX7 | |
| SCHEMBL30569682 | 0.78 | NOS3 (0.38) | SLC6A4P2RX7 | |
| SCHEMBL31518804 | 0.77 | CYP27A1 (0.42) | CYP27A1CYP24A1TAAR1ATMP2RX7 | |
| SCHEMBL30569685 | 0.71 | POLB (0.40) | — | |
| SCHEMBL29169537 | 0.71 | PTGS1 (0.52) | CYP27A1CYP24A1ATM | |
| SCHEMBL30825588 | 0.71 | PTGS1 (0.52) | CYP27A1CYP24A1ATM | |
| SCHEMBL9296486 | 0.71 | PTGS1 (0.52) | CYP27A1CYP24A1ATM |
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-115232068-B | Compound and preparation method and application thereof | 北京中医药大学 | 2023-09-08 | — | — | CN | disclosed |