Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28144367 | 0.78 | SMN1; SMN2 (0.55) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 | |
| SCHEMBL24890582 | 0.74 | — | — | |
| SCHEMBL2948892 | 0.73 | TP53 (0.56) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 | |
| SCHEMBL74396 | 0.73 | TP53 (0.56) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 | |
| SCHEMBL244740 | 0.73 | — | — | |
| SCHEMBL2200767 | 0.73 | TP53 (0.56) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 | |
| SCHEMBL23486494 | 0.73 | DPP4 (0.37) | — | |
| SCHEMBL23486736 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL22280725 | 0.72 | TP53 (0.43) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 | |
| SCHEMBL442253 | 0.72 | TP53 (0.43) | TP53GAASMN1; SMN2ALDH1A1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021078120-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2021-04-29 | — | — | WO | disclosed |