Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24369045 | 1.00 | CA1 (0.39) | CA1CA2CA7CA12CA3 | |
| SCHEMBL24369244 | 1.00 | CA1 (0.39) | CA1CA2CA7CA12CA3 | |
| SCHEMBL9885915 | 0.85 | CA12 (0.38) | CA1CA2CA7CA12CA3 | |
| SCHEMBL24369856 | 0.83 | CA1 (0.37) | CA1CA2CA7MTNR1AMTNR1B | |
| SCHEMBL24369855 | 0.83 | CA1 (0.37) | CA1CA2CA7MTNR1AMTNR1B | |
| SCHEMBL903675 | 0.83 | CA1 (0.43) | CA1CA2CA7CA4CA9 | |
| SCHEMBL16176081 | 0.83 | CA1 (0.35) | CA1CA2CA7CA12CA3 | |
| SCHEMBL28662880 | 0.81 | TDP1 (0.38) | CA1CA2CA7MTNR1AMTNR1B | |
| SCHEMBL25099313 | 0.81 | CA1 (0.34) | CA1CA2CA7CA12CA3 | |
| SCHEMBL25099324 | 0.79 | CYP2C9 (0.41) | CA1CA2CA7ALDH1A1ACACB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021038426-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-03-04 | — | — | WO | disclosed |