Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oxybate. 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 | |
|---|---|---|---|---|
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.82 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.65 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.65 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PPARD | Q03181 | 6/20 | 0.48 |
| ▸ | PPARA | Q07869 | 6/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Oxybate SCHEMBL15054779 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL7955516 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL15055160 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL11227947 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL7451823 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL5139101 | 1.00 | CAMK2A (0.82) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Acetic Acid SCHEMBL15324033 | 0.92 | GPR84 (0.79) | CAMK2AGPR84FFAR1FFAR4LMNA | |
| Oxybate SCHEMBL151078 | 0.91 | — | — | |
| Oxybate SCHEMBL10786 | 0.91 | — | — | |
| Oxybate SCHEMBL29059444 | 0.91 | CAMK2A (1.00) | CAMK2AGPR84FFAR1FFAR4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6696489-B1 | PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2004-02-24 | — | — | US | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |