Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29208302 | 0.83 | MGLL (0.35) | FAAHMGLL | |
| SCHEMBL30393019 | 0.63 | HRH3 (0.45) | HRH3FAAHMGLLALDH1A1TSHR | |
| SCHEMBL10131414 | 0.62 | CYP3A4 (0.41) | HRH3FAAHMGLLTSHRMEN1 | |
| SCHEMBL22136912 | 0.62 | HRH3 (0.44) | HRH3ALDH1A1POLBRXFP1 | |
| SCHEMBL1012105 | 0.62 | HRH3 (0.40) | HRH3FAAHMGLLALDH1A1POLB | |
| SCHEMBL3060271 | 0.60 | SMN1; SMN2 (0.44) | ALDH1A1MEN1KMT2ARXFP1 | |
| SCHEMBL29349021 | 0.60 | HRH3 (0.42) | HRH3ALDH1A1POLBL3MBTL1KMT2A | |
| SCHEMBL16197772 | 0.60 | SMN1; SMN2 (0.44) | ALDH1A1MEN1KMT2ARXFP1 | |
| SCHEMBL3060275 | 0.60 | SMN1; SMN2 (0.44) | ALDH1A1MEN1KMT2ARXFP1 | |
| SCHEMBL5660735 | 0.60 | HRH3 (0.45) | HRH3ALDH1A1L3MBTL1MEN1KMT2A |
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-117720456-A | New method for synthesizing apixaban intermediate 3, 3-dichloro-1- (4-substituted phenyl) piperidine-2-ketone | 华东理工大学 | 2024-03-19 | — | — | CN | disclosed |