Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Baclofen. 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 | |
|---|---|---|---|---|
| ▸ | GABBR2 known ✓ | O75899 | 7/20 | 0.75 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 7/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.75 |
| ▸ | LMNA | P02545 | 3/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.75 |
| ▸ | MEN1 | O00255 | 2/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.75 |
| ▸ | THRB | P10828 | 2/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.75 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.75 |
| ▸ | DRD3 | P35462 | 1/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14478252 | 0.90 | CYP2C9 (0.71) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL7422192 | 0.90 | CYP2C9 (0.71) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL5556250 | 0.87 | GABBR2 (1.00) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL19333 | 0.87 | GABBR2 (1.00) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Arbaclofen SCHEMBL351220 | 0.87 | GABBR2 (1.00) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL19334 | 0.87 | GABBR2 (1.00) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Arbaclofen SCHEMBL1417519 | 0.85 | GABBR2 (0.96) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL4915007 | 0.85 | GABBR2 (0.96) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL656539 | 0.85 | GABBR2 (0.96) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Baclofen SCHEMBL22352888 | 0.84 | GABBR2 (0.87) | GABBR2GABBR1CYP2C9LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5922706-A | TREATING INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS, AND CALCIUM CHANNEL BLOCKERS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS SUCH AS ANGINA, HYPERTENSION OR ISCHEMIA | MERCK & CO., INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| US-5872116-A | TREATMENT OF INFLAMATION, PAIN, MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5719147-A | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |