Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30116774 | 0.87 | CHRNA7 (0.46) | CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL8076992 | 0.87 | CHRNA7 (0.46) | CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4 | |
| SCHEMBL8077458 | 0.81 | CYP2A6 (0.40) | ALDH1A1CYP2A6 | |
| SCHEMBL9058332 | 0.81 | CYP2A6 (0.40) | ALDH1A1CYP2A6 | |
| SCHEMBL8062972 | 0.79 | CHRNB2 (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| Fumaric Acid SCHEMBL9085199 | 0.77 | KDM4E (0.43) | CHRNA7ALDH1A1LMNATDP1 | |
| SCHEMBL8075941 | 0.75 | TP53 (0.51) | ALDH1A1MAPT | |
| SCHEMBL8072336 | 0.75 | ALDH1A1 (0.43) | ALDH1A1LMNATDP1MAPT | |
| SCHEMBL8072071 | 0.75 | CHRNB2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL8072339 | 0.73 | DRD4 (0.44) | ALDH1A1TDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6100269-A | ADMINISTERING TO PATIENT NICOTINIC RECEPTOR AGONISTIC DERIVATIVES OF 3-(PYRIDYL OR PYRIMIDYL)-2-AZABICYCLO(2.2.1) HEPTANE OR 2-AZABICYCLO(2.2.2.)OCTANE TO ELICIT NEUROTRANSMITTER SECRETION WITH REDUCED SIDE EFFECTS | BENCHERIF MEROUANE (US) | 2000-08-08 | — | — | US | disclosed |
| US-5583140-A | ADMINISTERING 2-AZABICYCLO(2.2.2)OCT-5-ENE DERIVATIVES TO TREAT NEURODEGENERATIVE DISORDERS SUCH AS SENILE DEMENTIA OF ALZHEIMER'S TYPE | TARGACEPT, INC. A CORP. OF DE, | 1996-12-10 | — | — | US | disclosed |
| WO-1996036637-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036637-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |