Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL835945 | 0.72 | TDP1 (0.44) | S100A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4852222 | 0.72 | CYP3A4 (0.32) | CYP3A4TSHR | |
| SCHEMBL9740775 | 0.72 | GRIN2D (0.34) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1983087 | 0.68 | S100A4 (0.40) | ERN1FBP1AKR1B1S100A4TRPV1 | |
| SCHEMBL19327235 | 0.67 | ERN1 (0.57) | ERN1FBP1AKR1B1S100A4TRPV1 | |
| SCHEMBL9959976 | 0.67 | CYP3A4 (0.42) | ERN1FBP1AKR1B1S100A4TRPV1 | |
| SCHEMBL2768922 | 0.66 | FBP1 (0.42) | ERN1FBP1AKR1B1S100A4TRPV1 | |
| SCHEMBL11796324 | 0.65 | ERN1 (0.50) | ERN1AKR1B1S100A4TRPV1ALDH1A1 | |
| SCHEMBL18862781 | 0.65 | ERN1 (0.50) | ERN1FBP1AKR1B1S100A4TRPV1 | |
| SCHEMBL221077 | 0.65 | ALDH1A1 (0.57) | ERN1AKR1B1S100A4TRPV1ALDH1A1 |
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-113816962-A | Synthesis of Bruton's tyrosine kinase inhibitors | 药品循环有限责任公司 | 2021-12-21 | — | — | CN | disclosed |