Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL57257 | 0.90 | VCAM1 (0.61) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL16089350 | 0.90 | VCAM1 (0.61) | KCNJ1KCNH2VCAM1PGRMAPT | |
| Selenium SCHEMBL9497333 | 0.88 | VCAM1 (0.59) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL20380311 | 0.87 | KCNJ1 (0.51) | KCNJ1KCNH2VCAM1PGRMAPT | |
| Ammonia Solution, Strong SCHEMBL3939797 | 0.85 | KCNJ1 (0.53) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL2961542 | 0.84 | KCNJ1 (0.55) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL27214761 | 0.84 | KCNJ1 (0.55) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL8384330 | 0.81 | KCNJ1 (0.53) | KCNJ1KCNH2VCAM1PGRMAPT | |
| Benzonitrile SCHEMBL27467965 | 0.80 | ALDH1A1 (0.60) | KCNJ1KCNH2VCAM1PGRMAPT | |
| SCHEMBL3128583 | 0.79 | HSPB1 (0.59) | KCNJ1KCNH2VCAM1PGRMAPT |
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-109415321-A | aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2019-03-01 | — | — | CN | disclosed |