Known targets — ChEMBL curated mechanism
GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3B
The experimentally established mechanism targets of Ketamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 known ✓ | Q05586 | 5/20 | 0.94 |
| ▸ | GRIN2A known ✓ | Q12879 | 5/20 | 0.94 |
| ▸ | GRIN2B known ✓ | Q13224 | 3/20 | 0.94 |
| ▸ | GRIN2D known ✓ | O15399 | 2/20 | 0.94 |
| ▸ | GRIN3B known ✓ | O60391 | 2/20 | 0.94 |
| ▸ | GRIN2C known ✓ | Q14957 | 2/20 | 0.94 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 2/20 | 0.94 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.94 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.94 |
| ▸ | LMNA | P02545 | 1/20 | 0.94 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.94 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.94 |
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 | |
|---|---|---|---|---|
| Esketamine SCHEMBL5512024 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL16103 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL29401859 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL16104 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Esketamine SCHEMBL29368640 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL17084881 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL1546459 | 0.97 | GRIN1 (1.00) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL21357882 | 0.95 | GRIN1 (0.97) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL8587139 | 0.95 | GRIN1 (0.97) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D | |
| Ketamine SCHEMBL26999 | 0.95 | GRIN1 (0.97) | GRIN1GRIN2AGRIN2BSLC6A4GRIN2D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114509479-A | Magnetic core-shell molecular imprinting material, preparation and application thereof, electrochemical sensor and application thereof, and ketamine detection method | 云南大学 | 2022-05-17 | — | — | CN | claimed |
| CN-113311084-B | Hair poison quality control product for criminal investigation field and rapid preparation method thereof | 公安部鉴定中心 | 2023-06-16 | — | — | CN | disclosed |
| CN-114509479-A | Magnetic core-shell molecular imprinting material, preparation and application thereof, electrochemical sensor and application thereof, and ketamine detection method | 云南大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-113311084-A | Hair drug quality control product for criminal investigation field and rapid preparation method thereof | 公安部物证鉴定中心 | 2021-08-27 | — | — | CN | disclosed |