Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | TK1 | P04183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8692026 | 0.77 | MAPK1 (0.41) | CHRNA7CHRNB2CHRNA5CHRNA4CHRM1 | |
| SCHEMBL4751945 | 0.68 | DRD4 (0.53) | GAACHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL8691907 | 0.66 | KMT2A (0.43) | CHRNA7CHRNB2CHRNA5CHRNA4CHRM1 | |
| SCHEMBL8689760 | 0.65 | CHRNB2 (0.41) | CHRNA7CHRNB2CHRNA5CHRNA4CHRM1 | |
| SCHEMBL885809 | 0.65 | OPRM1 (0.47) | SMN1; SMN2CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL27292884 | 0.63 | KMT2A (0.61) | CHRNA7CHRNB2CHRNA5CHRNA4MAPK1 | |
| Ethyl Benzoate SCHEMBL31518976 | 0.63 | LMNA (0.63) | SMN1; SMN2NPC1GAAMAPK1NPSR1 | |
| SCHEMBL7452731 | 0.62 | KMT2A (0.59) | NPC1CHRNA7CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL25445958 | 0.62 | CARM1 (0.58) | CHRNA7CHRNB2CHRNA5CHRNA4MAPK1 | |
| Benzyl Benzoate SCHEMBL28950812 | 0.61 | KMT2A (0.68) | SMN1; SMN2NPC1GAASLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5723609-A | VIRICIDES | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | disclosed |