Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 SCHEMBL974954 | 1.00 | HSD11B1 (0.48) | HSD11B1TSHRCA1CA2CA9 | |
| Adamantane SCHEMBL3981833 | 1.00 | HSD11B1 (0.48) | HSD11B1TSHRCA1CA2CA9 | |
| Adamantane SCHEMBL9316202 | 0.87 | HSD11B1 (0.46) | HSD11B1TSHRCYP2C9CYP2D6LMNA | |
| Adamantane SCHEMBL28221509 | 0.87 | HSD11B1 (0.46) | HSD11B1TSHRCYP2C9CYP2D6LMNA | |
| Adamantane SCHEMBL27604496 | 0.85 | CYP2C9 (0.50) | HSD11B1TSHRCYP2C9LMNATHRB | |
| Bicarbonate SCHEMBL14480226 | 0.84 | CA1 (0.39) | HSD11B1TSHRCA1CA2CA9 | |
| Adamantane SCHEMBL27239 | 0.84 | FFAR3 (0.54) | HSD11B1TSHRCYP2C9CYP2D6LMNA | |
| Adamantane SCHEMBL28164719 | 0.84 | ACHE (0.54) | HSD11B1TSHRCYP2C9CYP2D6LMNA | |
| Adamantane SCHEMBL3098060 | 0.84 | HSD11B1 (0.43) | HSD11B1TSHRCYP2C9CYP2D6LMNA | |
| Adamantane SCHEMBL8402827 | 0.84 | FFAR3 (0.54) | HSD11B1TSHRCYP2C9CYP2D6LMNA |
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-2456467-B1 | EPSILON-POLYLYSINE CONJUGATES AND USE THEREOF | MERCK PATENT GMBH (DE) | 2018-06-27 | — | — | EP | disclosed |
| EP-2456467-A1 | -POLYLYSINE CONJUGATES AND USE THEREOF | Merck Patent GmbH (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009539-A1 | ε-POLYLYSINE CONJUGATES AND USE THEREOF | MERCK PATENT GMBH (DE) | 2011-01-27 | — | — | WO | disclosed |