Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.58 |
| ▸ | BCHE | P06276 | 5/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26701917 | 0.77 | ADORA1 (0.56) | ACHEBCHEBACE1SQORADORA2A | |
| SCHEMBL21028257 | 0.77 | BCHE (0.67) | ACHEBCHEKDM4EALDH1A1MEN1 | |
| SCHEMBL15489881 | 0.75 | ADORA2A (0.62) | ACHEBCHESQORADORA2AADORA1 | |
| SCHEMBL603178 | 0.74 | ESR1 (0.56) | ACHEKDM4EALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL29488292 | 0.74 | ESR1 (0.56) | ACHEKDM4EALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL25847888 | 0.74 | ACHE (0.72) | ACHEBCHEBACE1ADORA2AADORA1 | |
| SCHEMBL18416144 | 0.74 | ACHE (0.68) | ACHEBCHEBACE1ADORA2AADORA1 | |
| SCHEMBL12043418 | 0.74 | ACHE (1.00) | ACHEBCHEBACE1ADORA2AADORA1 | |
| SCHEMBL14993846 | 0.73 | BCHE (0.46) | ACHEBCHEADORA2AADORA1KDM4E | |
| SCHEMBL18014992 | 0.70 | ADORA2A (0.59) | ACHEBCHEBACE1SQORADORA2A |
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-2018012845-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME | 희성소재(주) | 2018-01-18 | — | — | WO | disclosed |