Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3284603 | 0.92 | ACHE (0.35) | CYP2A6CYP1A2ACHENR1H2NR1H3 | |
| SCHEMBL16352607 | 0.88 | CYP1A2 (0.64) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL16335444 | 0.87 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL31593915 | 0.87 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL3825059 | 0.86 | CYP2A6 (0.48) | CYP2A6CYP1A2 | |
| SCHEMBL29901605 | 0.86 | CYP2A6 (0.48) | CYP2A6CYP1A2 | |
| SCHEMBL22960091 | 0.85 | ALDH1A1 (0.44) | CYP2A6CYP1A2ACHETDP1 | |
| SCHEMBL9804773 | 0.85 | ALDH1A1 (0.44) | CYP2A6CYP1A2ACHETDP1 | |
| SCHEMBL12260018 | 0.81 | HPRT1 (0.36) | CYP1A2ACHENR1H2NR1H3 | |
| SCHEMBL12278290 | 0.81 | HPRT1 (0.36) | CYP1A2ACHENR1H2NR1H3 |
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-2012136997-A1 | G-QUADRUPLEX STABILISING AGENT | UNIVERSITY COLLEGE LONDON (GB) | 2012-10-11 | — | — | WO | disclosed |