Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL948980 | 0.84 | CA12 (0.39) | CA12CA2CA9CA1CA7 | |
| SCHEMBL20087401 | 0.82 | CA12 (0.40) | CA12CA2CA9CA1CA7 | |
| SCHEMBL38493 | 0.79 | — | — | |
| SCHEMBL29015869 | 0.79 | TRPA1 (0.46) | CA12CA2CA1CA7CA14 | |
| SCHEMBL12305755 | 0.79 | — | — | |
| Acetic Acid SCHEMBL29174291 | 0.77 | TRPA1 (0.41) | ALDH1A1TRPA1TSHRMTNR1AMTNR1B | |
| SCHEMBL15456193 | 0.77 | TRPA1 (0.44) | CA12CA2CA1CA7CA14 | |
| Ammonia Solution, Strong SCHEMBL22577671 | 0.77 | TRPA1 (0.44) | CA12CA2CA1CA7CA14 | |
| SCHEMBL483128 | 0.74 | CA12 (0.55) | CA12CA2CA9CA1ALDH1A1 | |
| Ether SCHEMBL6302680 | 0.74 | ALDH1A1 (0.48) | CA12CA2CA1CA7CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105440032-A | PYRAZINE DERIVATIVES AS ENAC BLOCKERS | NOVARTIS AG | 2016-03-30 | — | — | CN | disclosed |
| CN-103249723-B | Pyrazine derivatives as ENAC blockers | NOVARTIS AG (CH) | 2015-11-25 | — | — | CN | disclosed |