Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1432708 | 0.82 | ALDH1A1 (0.33) | ALDH1A1CA14SMN1; SMN2 | |
| SCHEMBL8728284 | 0.79 | TDP1 (0.31) | — | |
| SCHEMBL10328425 | 0.72 | SMN1; SMN2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4CA14 | |
| SCHEMBL10328399 | 0.72 | SMN1; SMN2 (0.36) | CHRNB2CHRNB4CHRNA3CHRNA4CA14 | |
| Hydrochloric Acid SCHEMBL30497141 | 0.71 | SMN1; SMN2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4CA14 | |
| SCHEMBL7748931 | 0.71 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4CA14 | |
| SCHEMBL2493285 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1CA14SMN1; SMN2KMT2A | |
| SCHEMBL7490938 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1CA14SMN1; SMN2KMT2A | |
| SCHEMBL6250353 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1CA14SMN1; SMN2KMT2A | |
| SCHEMBL7782987 | 0.70 | SMN1; SMN2 (0.37) | ALDH1A1CA14SMN1; SMN2KMT2A |
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-104356020-B | A kind of amide groups ester and synthetic method, application | 郁维铭 | 2016-08-24 | — | — | CN | disclosed |