Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28465034 | 1.00 | GABRA1 (0.41) | GABRA1GABRB1THRATHRBCA12 | |
| SCHEMBL28260301 | 0.95 | GABRA1 (0.49) | GABRA1GABRB1THRATHRBCA12 | |
| SCHEMBL28260303 | 0.95 | GABRA1 (0.49) | GABRA1GABRB1THRATHRBCA12 | |
| SCHEMBL28217282 | 0.80 | FABP3 (0.35) | GABRA1GABRB1THRATHRBLMNA | |
| SCHEMBL28217729 | 0.80 | FABP3 (0.35) | GABRA1GABRB1THRATHRBLMNA | |
| SCHEMBL19236322 | 0.79 | CA1 (0.54) | GABRA1GABRB1CA1CA2LMNA | |
| SCHEMBL19235996 | 0.79 | CA1 (0.54) | GABRA1GABRB1CA1CA2LMNA | |
| SCHEMBL19235974 | 0.79 | CA1 (0.54) | GABRA1GABRB1CA1CA2LMNA | |
| SCHEMBL4319072 | 0.77 | GABRA1 (0.63) | GABRA1GABRB1THRATHRBCA12 | |
| SCHEMBL19704410 | 0.76 | THRA (0.44) | THRATHRBSELLSELP |
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-109071392-B | Benzene ring derivative, preparation method and medical application thereof | 四川海思科制药有限公司 | 2020-10-02 | — | — | CN | disclosed |