Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.62 |
| ▸ | CA6 | P23280 | 5/20 | 0.62 |
| ▸ | CA7 | P43166 | 5/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.62 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA4 | P22748 | 4/20 | 0.59 |
| ▸ | CA5A | P35218 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | CA3 | P07451 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL11078881 | 0.81 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| Acetonitrile SCHEMBL4435783 | 0.81 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| SCHEMBL7060892 | 0.81 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| Acetonitrile SCHEMBL4432375 | 0.81 | CA12 (0.62) | CA12CA6CA7CA9CA14 | |
| SCHEMBL15381 | 0.79 | — | — | |
| SCHEMBL5314937 | 0.79 | CA12 (1.00) | CA12CA6CA7CA9CA14 | |
| SCHEMBL456180 | 0.79 | — | — | |
| Dimethylamine SCHEMBL8942475 | 0.76 | CA12 (0.77) | CA12CA6CA7CA9CA14 | |
| Formaldehyde SCHEMBL4430718 | 0.76 | — | — | |
| Ethylamine SCHEMBL11164523 | 0.76 | CA12 (0.77) | CA12CA6CA7CA9CA14 |
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-108697678-A | Use of sGC stimulators in the treatment of non-alcoholic steatohepatitis (NASH) | 铁木医药有限公司 | 2018-10-23 | — | — | CN | disclosed |