Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL28220779 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL27348188 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL3824269 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL28901733 | 0.77 | CYP1A2 (0.48) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| Water SCHEMBL28284372 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL22164590 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL28036734 | 0.75 | PIN1 (0.47) | KCNN4MAPTKMT2AALDH1A1TSHR | |
| SCHEMBL548166 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL1814746 | 0.73 | KCNN4 (0.46) | CYP1A2CYP2D6KCNN4MAPTKMT2A | |
| SCHEMBL11043920 | 0.72 | HTT (0.46) | CYP1A2CYP2D6KCNN4MAPTKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974304-A | Treatment device and treatment method for sodium bromide wastewater in photoinitiator production process | 山东久日化学科技有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-115893746-A | Method for treating sodium bromide wastewater in photoinitiator production process | 山东久日化学科技有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-109970759-A | The inhibitor of protein tyrosine kinase activity | 梅特希尔基因公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-105777776-A | Inhibitors Of Protein Tyrosine Kinase Activity | 梅特希尔基因公司 | 2016-07-20 | — | — | CN | disclosed |
| EP-1924551-A2 | ORGANIC COMPOUNDS | Novartis Pharma AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025709-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-03-08 | — | — | WO | disclosed |