Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL29728643 | 0.95 | ALOX15 (0.46) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL224726 | 0.80 | ALOX15 (0.46) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL42755 | 0.79 | — | — | |
| SCHEMBL30357063 | 0.79 | ALOX15 (0.50) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28339731 | 0.78 | ALOX15 (0.44) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28101763 | 0.78 | ALOX15 (0.44) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL28101728 | 0.78 | ALOX15 (0.44) | ALOX15CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1767195 | 0.77 | — | — | |
| SCHEMBL189149 | 0.77 | — | — | |
| SCHEMBL11654179 | 0.77 | — | — |
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-114144178-A | Nicorandil derivatives | 尤尼赛夫医疗公司 | 2022-03-04 | — | — | CN | disclosed |