Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28479537 | 0.86 | PTPN1 (0.49) | CYP2C19HSP90AA1CCR6RECQLMAPT | |
| SCHEMBL28477045 | 0.85 | HSP90AA1 (0.44) | CYP2C19HSP90AA1CCR6RECQLMAPT | |
| SCHEMBL28478355 | 0.79 | MAPT (0.42) | CYP2C19MAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL28475352 | 0.77 | MAPT (0.42) | CYP2C19HSP90AA1CCR6RECQLMAPT | |
| SCHEMBL28479383 | 0.74 | HSPB1 (0.48) | HSP90AA1CCR6RECQLMAPTKMT2A | |
| SCHEMBL28485005 | 0.74 | HTT (0.35) | CYP2C19HSP90AA1CCR6RECQLMAPT | |
| SCHEMBL28478727 | 0.73 | MAPT (0.38) | CYP2C19HSP90AA1CCR6RECQLMAPT | |
| SCHEMBL28484057 | 0.72 | RECQL (0.40) | HSP90AA1CCR6RECQLMAPTNPC1 | |
| SCHEMBL28484102 | 0.71 | MAPT (0.43) | CYP2C19RECQLMAPTKMT2AMEN1 | |
| SCHEMBL28480773 | 0.71 | KMT2A (0.52) | CYP2C19HSP90AA1CCR6MAPTKMT2A |
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-108164397-B | Catechol derivative and its preparation method | 暨南大学 | 2020-11-13 | — | — | CN | disclosed |