Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
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 SCHEMBL1653880 | 1.00 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Adamantane SCHEMBL166190 | 1.00 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Adamantane SCHEMBL163246 | 1.00 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28043411 | 0.91 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2710114 | 0.86 | TSHR (0.52) | TSHRDAONAPRTCES2CES1 | |
| Benzophenone SCHEMBL29110866 | 0.85 | ALDH1A1 (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL975929 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL149318 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL407365 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL137419 | 0.84 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102276468-B | Resin containing adamantanes, preparation method and application of resin | UNIV CHANGZHOU | 2013-12-18 | — | — | CN | claimed |
| CN-102276468-A | Resin containing adamantanes, preparation method and application of resin | — | 2011-12-14 | — | — | CN | claimed |
| US-4142036-A | Polyphenylcarboxylic acid adamantane compounds and polymers prepared therefrom | STANDARD OIL COMPANY (INDIANA) (US) | 1979-02-27 | — | — | US | claimed |
| CN-102276468-B | Resin containing adamantanes, preparation method and application of resin | UNIV CHANGZHOU | 2013-12-18 | — | — | CN | disclosed |
| CN-102276468-A | Resin containing adamantanes, preparation method and application of resin | — | 2011-12-14 | — | — | CN | disclosed |
| US-4142036-A | Polyphenylcarboxylic acid adamantane compounds and polymers prepared therefrom | STANDARD OIL COMPANY (INDIANA) (US) | 1979-02-27 | — | — | US | disclosed |