Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Adamantane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 5/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL25414018 | 0.84 | GRIN2D (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL7737478 | 0.78 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL29229320 | 0.75 | LMNA (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL29707714 | 0.74 | CYP2C9 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL12761 | 0.74 | CYP2C9 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL9016497 | 0.74 | CYP2C9 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL1527414 | 0.74 | CYP2C9 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL16735409 | 0.70 | CYP2C9 (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL1206076 | 0.70 | GRIN2D (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Adamantane SCHEMBL27840036 | 0.70 | LMNA (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-114195912-B | Preparation method and application of linear or cage-shaped supermolecule self-assembly ligand | 昆明理工大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-114195912-A | Preparation method and application of linear or cage-shaped supermolecule self-assembly ligand | 昆明理工大学 | 2022-03-18 | — | — | CN | disclosed |