Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31332164 | 0.88 | ESR1 (0.47) | ALDH1A1MEN1KMT2AESR1PDE4A | |
| SCHEMBL1044954 | 0.88 | JAK2 (0.34) | — | |
| SCHEMBL1838297 | 0.88 | ESR1 (0.47) | ALDH1A1MEN1KMT2AESR1PDE4A | |
| SCHEMBL11131743 | 0.77 | NQO1 (0.46) | ALDH1A1MEN1KMT2AESR1TUBB1 | |
| SCHEMBL27316766 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AESR1PDE4A | |
| Acrylic Acid SCHEMBL28543664 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AESR1PDE4A | |
| SCHEMBL9196941 | 0.75 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ATUBB1KDM4E | |
| SCHEMBL5588485 | 0.75 | ESR1 (0.46) | ALDH1A1MEN1KMT2AESR1PDE4A | |
| SCHEMBL1835382 | 0.73 | KDM4E (0.42) | ALDH1A1MEN1KMT2AESR1KDM4E | |
| Propane SCHEMBL27691099 | 0.73 | LMNA (0.42) | ALDH1A1MEN1KMT2AESR1TUBB1 |
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-115594569-A | Synthesis method of 2, 3-difluorophenetole negative liquid crystal compound | 重庆汉朗精工科技有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |