Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961836 | 0.78 | CHRNA1 (0.46) | CA1CA2CA7CA9CHRNA1 | |
| SCHEMBL935167 | 0.68 | CA1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28198222 | 0.67 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL24342639 | 0.67 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL119428 | 0.67 | CHRNA1 (0.50) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.66 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.66 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL434091 | 0.66 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5616834 | 0.65 | CA12 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10458825 | 0.65 | CA1 (0.46) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |