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 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL27918887 | 1.00 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL10762638 | 0.81 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA4KMT2A | |
| SCHEMBL15901764 | 0.81 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA4KMT2A | |
| SCHEMBL16103861 | 0.80 | PAOX (0.37) | ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1 | |
| SCHEMBL15901179 | 0.78 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL31546350 | 0.78 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL7704824 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL7704822 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL7708146 | 0.76 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL9281063 | 0.74 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112707869-B | Dacotinib impurity and preparation method thereof | 扬子江药业集团有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-112707869-A | Dacotinib impurity and preparation method thereof | 扬子江药业集团有限公司 | 2021-04-27 | — | — | CN | disclosed |