Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL29627292 | 0.95 | CYP2A6 (0.44) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL29627352 | 0.87 | NPSR1 (0.35) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL29627275 | 0.85 | CYP2A6 (0.39) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL29627387 | 0.85 | CYP2A6 (0.39) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL29627371 | 0.85 | CYP2A6 (0.39) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL29627294 | 0.81 | CYP2A6 (0.38) | CYP2A6L3MBTL1HTTNPSR1CYP1A2 | |
| SCHEMBL23264335 | 0.80 | CYP2A6 (0.54) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL18134991 | 0.80 | CYP2A6 (0.54) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL11957028 | 0.80 | CYP2A6 (0.54) | TDP1CYP2A6L3MBTL1HTTNPSR1 | |
| SCHEMBL18134980 | 0.80 | CYP2A6 (0.54) | TDP1CYP2A6L3MBTL1HTTNPSR1 |
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-2022131768-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | 솔루스첨단소재 주식회사 | 2022-06-23 | — | — | WO | disclosed |