Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20354392 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL19508896 | 0.85 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4MEN1 | |
| SCHEMBL19508892 | 0.80 | ALDH1A1 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL20052073 | 0.80 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL18591656 | 0.80 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL606535 | 0.79 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL20052072 | 0.79 | EPHX1 (0.58) | ACHE | |
| SCHEMBL19509262 | 0.77 | ALDH1A1 (0.42) | TDP1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19509266 | 0.76 | GRM1 (0.32) | MEN1KMT2AGRM1GAACTSK | |
| SCHEMBL15149482 | 0.76 | MEN1 (0.45) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT |
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-116323601-A | 2- (3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl) -acetamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors | 阿戈麦布西班牙股份有限公司 | 2023-06-23 | — | — | CN | disclosed |