Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 8/20 | 0.39 |
| ▸ | TERT | O14746 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL31344129 | 0.94 | ACHE (0.36) | CYP1A2CYP2A6ACHETERTCRHR1 | |
| SCHEMBL10480403 | 0.83 | MAPT (0.39) | ACHEKDM4EMEN1MAPTTHRB | |
| SCHEMBL2773903 | 0.79 | CYP2A6 (0.48) | CYP1A2CYP2A6ACHEMAPTHTT | |
| Iodide SCHEMBL3905319 | 0.77 | CYP2A6 (0.47) | CYP1A2CYP2A6ACHEMEN1MAPT | |
| SCHEMBL20609436 | 0.77 | CYP2A6 (0.55) | CYP1A2CYP2A6CRHR1KDM4E | |
| SCHEMBL2200368 | 0.75 | ACHE (0.55) | CYP1A2CYP2A6ACHETERT | |
| SCHEMBL29463725 | 0.75 | ACHE (0.55) | CYP1A2CYP2A6ACHETERT | |
| SCHEMBL7026891 | 0.75 | ACHE (0.38) | ACHETERTKDM4EMAPTHTT | |
| SCHEMBL29918191 | 0.72 | CYP1A2 (0.50) | CYP1A2CYP2A6ACHECRHR1MEN1 | |
| SCHEMBL10010909 | 0.72 | ALDH1A1 (0.49) | CYP1A2CYP2A6ACHECRHR1KDM4E |
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-109265328-A | A kind of method of visible optical drive green syt styrax bis ether | 兰州大学 | 2019-01-25 | — | — | CN | disclosed |