Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | BCR | P11274 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1513629 | 0.84 | CA1 (0.56) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL3264500 | 0.84 | ABL1 (0.50) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL4588816 | 0.84 | ALDH1A1 (0.44) | PTPN1BACE1BCL2L1CA12CA1 | |
| SCHEMBL9513577 | 0.82 | ABL1 (0.48) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL1758175 | 0.79 | ABL1 (0.54) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL28114560 | 0.78 | TSHR (0.58) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL8148942 | 0.77 | PTGS2 (0.51) | ABL1ABCB1BCRPTPN1MMP3 | |
| Oxirane SCHEMBL28242449 | 0.77 | CA1 (0.49) | ABL1ABCB1BCRPTPN1BACE1 | |
| Cyanate SCHEMBL27635992 | 0.77 | ESR2 (0.51) | ABL1ABCB1BCRPTPN1BACE1 | |
| SCHEMBL28743249 | 0.76 | ABL1 (0.46) | ABL1ABCB1BCRPTPN1BACE1 |
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-109825312-A | Liquid crystal media with vertical plane orientation | 默克专利股份有限公司 | 2019-05-31 | — | — | CN | disclosed |