Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 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 | |
|---|---|---|---|---|
| SCHEMBL2413529 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29974433 | 0.77 | CHRNA4 (0.41) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL29290252 | 0.77 | CHRNA4 (0.41) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL29156121 | 0.77 | — | — | |
| SCHEMBL27892844 | 0.73 | CHRNA4 (0.44) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Benzene SCHEMBL28325923 | 0.70 | CHRNA4 (0.46) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3114585 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30596464 | 0.70 | — | — | |
| SCHEMBL16027956 | 0.69 | — | — | |
| Trifluoroacetic Acid SCHEMBL29974662 | 0.68 | ABCC9 (0.36) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 |
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-116096705-A | Novel compounds | NRG治疗有限公司 | 2023-05-09 | — | — | CN | disclosed |