Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.54 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 12/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL641218 | 0.83 | TSHR (0.70) | NR1H2NR1H3TSHR | |
| SCHEMBL10501747 | 0.82 | CYP2A6 (0.53) | CHRNB2CHRNA4GRM2NAMPTNR1H2 | |
| SCHEMBL9287384 | 0.81 | CHRNB2 (0.50) | CHRNB2CHRNA4KCNN4KCNA5GRM2 | |
| SCHEMBL9288362 | 0.80 | CYP3A4 (0.54) | CHRNB2CHRNA4GRM2NAMPTNR1H2 | |
| SCHEMBL10980178 | 0.79 | S1PR1 (0.56) | CHRNB2CHRNA4GRM2NAMPTNR1H2 | |
| SCHEMBL27855302 | 0.78 | TSHR (0.68) | CHRNB2CHRNA4KCNN4KCNA5NR1H2 | |
| Hydrochloric Acid SCHEMBL10986448 | 0.77 | S1PR1 (0.55) | CHRNB2CHRNA4GRM2NAMPTNR1H2 | |
| SCHEMBL13084335 | 0.77 | ALDH1A1 (0.53) | GRM2NAMPTNR1H2NR1H3TSHR | |
| SCHEMBL10982514 | 0.77 | NR1H3 (0.53) | CHRNB2CHRNA4NAMPTNR1H3TSHR | |
| SCHEMBL16627431 | 0.77 | CHRNB2 (0.77) | CHRNB2CHRNA4GRM2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0871615-B1 | SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | disclosed |
| US-6194581-B1 | FOR TREATMENT OF DYSFUNCTION OF THE CENTRAL OR AUTONOMIC NERVOUS SYSTEMS INCLUDING DEMENTIA, COGNITIVE DISORDERS, NEURODEGENERATIVE DISORDERS, EXTRAPYRAMIDAL DISORDERS, CONVULSIVE DISORDERS, CARDIOVASCULAR DISORDERS, PAIN | MERCK & CO., INC. | 2001-02-27 | — | — | US | disclosed |
| US-5852041-A | Substituted pyridines useful as modulators of acethylcholine receptors | SIBIA NEUROSCIENCES, INC. (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0871615-A1 | SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1998-10-21 | — | — | EP | disclosed |
| US-5736560-A | USEFUL IN THE TREATMENT OF ALZHEIMER'S AND PARKINSONS'S DISEASES | SIBIA NEUROSCIENCES, INC. (US) | 1998-04-07 | — | — | US | disclosed |
| US-5686473-A | TREATING PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, DEMENTIA AND PAIN | SIBIA NEUROSCIENCES, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5585388-A | Substituted pyridines useful as modulators of acetylcholine receptors | SIBIA NEUROSCIENCES, INC. (US) | 1996-12-17 | — | — | US | disclosed |
| WO-1996031475-A2 | SUBSTITUTED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1996-10-10 | — | — | WO | disclosed |