Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 7/20 | 0.67 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.67 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.67 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.67 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.67 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.67 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.67 |
| ▸ | CHRNG | P07510 | 2/20 | 0.67 |
| ▸ | CHRND | Q07001 | 2/20 | 0.67 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6960621 | 0.91 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| Fumaric Acid SCHEMBL6960624 | 0.91 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL6818776 | 0.86 | CHRNB4 (0.59) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL6972915 | 0.85 | CHRNB4 (0.72) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL6973153 | 0.83 | CHRNB4 (0.69) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL6813669 | 0.82 | CHRNA3 (0.64) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| Altinicline SCHEMBL1155703 | 0.81 | CHRNA3 (1.00) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| Altinicline SCHEMBL1155706 | 0.81 | CHRNA3 (1.00) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL13388063 | 0.81 | CHRNA3 (0.70) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL6814245 | 0.81 | CHRNB4 (0.56) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 |
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-0739342-B1 | PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-08-27 | — | — | EP | disclosed |
| US-5723477-A | CENTRAL NERVOUS SYSTEM OR AUTONOMIC NERVOUS SYSTEM, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS OR DRUG ABUSE | SIBIA NEUROSCIENCES, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5705512-A | COGNITION ACTIVATORS USING PYRROLIDINE PYRIDINE | SIBIA NEUROSCIENCES, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5703100-A | PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS | SIBIA NEUROSCIENCES, INC. (US) | 1997-12-30 | — | — | US | disclosed |
| US-5677459-A | PYRIDINE COMPOUNDS | SIBIA NEUROSCIENCES, INC. (US) | 1997-10-14 | — | — | US | disclosed |
| US-5594011-A | Modulators of acetylcholine receptors | SIBIA NEUROSCIENCES, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0739342-A1 | PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1996-10-30 | — | — | EP | disclosed |
| WO-1996015123-A1 | PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1996-05-23 | — | — | WO | disclosed |