Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | LPL | P06858 | 4/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | POR | P16435 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2774133 | 0.85 | CA1 (0.44) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL30237979 | 0.85 | CA1 (0.44) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL1870652 | 0.84 | JAK2 (0.38) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL1642097 | 0.83 | EGFR (0.45) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL29427091 | 0.83 | LPL (0.41) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL9948522 | 0.83 | LPL (0.41) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL18117642 | 0.83 | EGFR (0.37) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL29960842 | 0.83 | EGFR (0.45) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL5784094 | 0.83 | IDO1 (0.41) | EGFRLPLLIPGCA1CA2 | |
| SCHEMBL26447348 | 0.81 | EGFR (0.37) | EGFRLPLLIPGKDM4EALDH1A1 |
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-106631726-A | Synthetic method for optically pure double-helix oligomeric tetra-benzocyclooctene substances | 香港中文大学深圳研究院 | 2017-05-10 | — | — | CN | disclosed |