Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL170628 | 0.84 | ESR1 (0.41) | CYP1A2ESR1ESR2MCL1 | |
| SCHEMBL17193132 | 0.82 | ALDH1A1 (0.41) | MAOAKDM4EALDH1A1CA12CA1 | |
| SCHEMBL25878375 | 0.81 | KDM4E (0.45) | MAOAKDM4EALDH1A1CA12CA1 | |
| SCHEMBL25878532 | 0.81 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL25878384 | 0.79 | MAOA (0.38) | MAOAKDM4EALDH1A1CA12CA1 | |
| SCHEMBL25878383 | 0.78 | MAOA (0.37) | MAOAKDM4EALDH1A1CA12CA1 | |
| SCHEMBL18134242 | 0.77 | ESR1 (0.40) | ESR1ESR2MCL1 | |
| SCHEMBL18250999 | 0.77 | MCL1 (0.46) | KDM4EALDH1A1MAOBESR1ESR2 | |
| SCHEMBL18489432 | 0.74 | ESR2 (0.57) | MAOAKDM4EALDH1A1HPGDCYP3A4 | |
| SCHEMBL27049400 | 0.74 | ESR1 (0.35) | ESR1ESR2 |
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-2023134594-A1 | NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT | 烟台显华科技集团股份有限公司 | 2023-07-20 | — | — | WO | disclosed |