Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL13719433 | 0.81 | CMA1 (0.41) | CMA1SLC6A4SLC6A2CYP1A2CYP3A4 | |
| SCHEMBL30569684 | 0.79 | CYP27A1 (0.41) | SLC6A4SLC6A2TAAR1IDO1 | |
| SCHEMBL23830937 | 0.78 | SLC6A4 (0.45) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30569688 | 0.78 | SLC6A4 (0.40) | SLC6A4HTR6 | |
| SCHEMBL31518767 | 0.77 | KDM4E (0.42) | CMA1ROCK2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29049348 | 0.73 | FFAR1 (0.46) | CMA1ROCK2NPC1RAB9ATAAR1 | |
| SCHEMBL31518772 | 0.73 | SLC6A2 (0.41) | CMA1SLC6A4SLC6A2SLC6A3ROCK2 | |
| SCHEMBL29718876 | 0.71 | PTGS1 (0.42) | CMA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30569687 | 0.71 | PYCR1 (0.38) | CMA1SLC6A4NPC1IDO1 | |
| SCHEMBL30569682 | 0.71 | NOS3 (0.38) | CMA1SLC6A4 |
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 |