Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Adamantane SCHEMBL4451206 | 1.00 | THRB (0.50) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL2307499 | 0.87 | THRB (0.61) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL2307508 | 0.87 | THRB (0.61) | THRBCYP2C9TSHRTP53EGLN1 | |
| Fumaric Acid SCHEMBL10465961 | 0.84 | TSHR (0.64) | THRBCYP2C9TSHRTP53EGLN1 | |
| Fumaric Acid SCHEMBL4369903 | 0.84 | TSHR (0.64) | THRBCYP2C9TSHRTP53EGLN1 | |
| Maleic Acid SCHEMBL4369897 | 0.84 | TSHR (0.64) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL30013496 | 0.78 | LMNA (0.62) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL679263 | 0.78 | LMNA (0.62) | THRBCYP2C9TSHRTP53EGLN1 | |
| Maleic Acid SCHEMBL10824215 | 0.78 | LMNA (0.62) | TSHRTP53EGLN1EGLN3POLB | |
| Fumaric Acid SCHEMBL28755166 | 0.76 | THRB (0.56) | THRBCYP2C9TSHRTP53EGLN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976934-A4 | RADIATION CURABLE SYSTEM | GARNETT JOHN LYNDON (AU) | 2009-05-13 | — | — | EP | disclosed |
| EP-1976934-A1 | RADIATION CURABLE SYSTEM | Garnett, John Lyndon (AU) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007079541-A1 | RADIATION CURABLE SYSTEM | GARNETT JOHN LYNDON (AU) | 2007-07-19 | — | — | WO | disclosed |