Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29651964 | 0.91 | AHR (0.50) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL23930743 | 0.90 | AHR (0.42) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL30913037 | 0.88 | AHR (0.52) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL21305014 | 0.88 | AHR (0.52) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL9351287 | 0.87 | MAPT (0.37) | PDK2MEN1MAPTKMT2AFTO | |
| SCHEMBL23930780 | 0.85 | AHR (0.42) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL24570435 | 0.83 | PDK2 (0.38) | AHRPDK2 | |
| SCHEMBL19922303 | 0.82 | AHR (0.42) | AHRPDK2CYP2A6MEN1MAPT | |
| SCHEMBL30913036 | 0.82 | AHR (0.42) | AHRPDK2MEN1MAPTKMT2A | |
| SCHEMBL15713385 | 0.81 | AHR (0.52) | AHRPDK2MEN1MAPTKMT2A |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |