Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28404577 | 0.98 | ALDH1A1 (0.46) | CYP2A6HDAC8ALDH1A1MAPTKDM4E | |
| Ammonia Solution, Strong SCHEMBL27891700 | 0.91 | CYP2A6 (0.39) | CYP2A6HDAC8ALDH1A1MAPTKDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL578385 | 0.84 | CYP2A6 (0.34) | CYP2A6HDAC8ALDH1A1MAPTKDM4E | |
| SCHEMBL17193074 | 0.77 | CYP1A2 (0.56) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL15607037 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL31556379 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL1536308 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL12809771 | 0.75 | ACHE (0.55) | CYP2A6KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL29353067 | 0.74 | CYP2A6 (0.77) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL192166 | 0.74 | CYP2A6 (0.77) | CYP2A6ALDH1A1MAPTKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105828820-A | Bromodomain inhibitors | 赛尔基因昆蒂赛尔研究公司 | 2016-08-03 | — | — | CN | disclosed |