Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30829395 | 0.87 | MEN1 (0.44) | CYP2A6CYP1A2MEN1KMT2AGAA | |
| SCHEMBL6675754 | 0.72 | KDM1A (0.53) | CYP2A6CYP1A2KDM1AMEN1KMT2A | |
| SCHEMBL19854 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL27987885 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL31310956 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL29351228 | 0.69 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL29971658 | 0.69 | CACNB4 (0.44) | CYP2A6CYP1A2MEN1KMT2AGAA | |
| SCHEMBL668166 | 0.68 | CYP2C9 (0.49) | KDM1AMEN1KMT2AL3MBTL1RCE1 | |
| SCHEMBL31289355 | 0.68 | CYP2A6 (0.50) | CYP2A6CYP1A2KDM1AMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL21063791 | 0.68 | ALDH1A1 (0.56) | CYP2A6CYP1A2KDM1AMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613458-B2 | Benzo(a)perylene derivative dopant | CITYU RESEARCH LTD. (HK) | 2003-09-02 | — | — | US | disclosed |
| US-20030082403-A1 | Organic electroluminescent elements | INTELLECTUAL VENTURES II LLC | 2003-05-01 | — | — | US | disclosed |