Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680000 | 0.75 | LOXL2 (0.50) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1677708 | 0.75 | LOXL2 (0.50) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8294943 | 0.72 | CYP3A4 (0.44) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1678528 | 0.71 | CYP3A4 (0.47) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21394848 | 0.71 | S1PR1 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3LOXL2 | |
| SCHEMBL1678529 | 0.71 | CYP3A4 (0.47) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4049046 | 0.71 | SLC6A2 (0.59) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16321985 | 0.70 | TAAR1 (0.60) | SLC6A2SLC6A4SLC6A3LOXL2 | |
| SCHEMBL27308252 | 0.70 | TAAR1 (0.60) | SLC6A2SLC6A4SLC6A3LOXL2 | |
| SCHEMBL5924071 | 0.70 | TAAR1 (0.60) | SLC6A2SLC6A4SLC6A3LOXL2 |
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-115461336-A | RSV inhibiting 3-substituted quinoline and cinnoline derivatives | 爱尔兰詹森科学公司 | 2022-12-09 | — | — | CN | disclosed |