Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 3/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8427305 | 1.00 | PTGS2 (0.41) | PTGS2MKNK1MKNK2FDPSTBXAS1 | |
| SCHEMBL6659860 | 0.81 | CHRNB2 (0.58) | PTGS2MKNK1MKNK2HDAC1CYP11B1 | |
| SCHEMBL7224789 | 0.81 | CHRNB2 (0.58) | PTGS2MKNK1MKNK2HDAC1CYP11B1 | |
| SCHEMBL11879177 | 0.78 | CA1 (0.50) | HDAC1HDAC6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11884294 | 0.78 | CA1 (0.50) | HDAC1HDAC6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6662274 | 0.78 | CHRNB2 (0.43) | PTGS2MKNK2CHRNA7CHRNB2CHRNB4 | |
| SCHEMBL4822196 | 0.75 | PTGS2 (0.42) | PTGS2MKNK1MKNK2FDPSHDAC1 | |
| SCHEMBL6666536 | 0.75 | AKT1 (0.48) | MKNK2CHRNA7CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9000337 | 0.73 | CYP11B1 (0.44) | PTGS2MKNK1MKNK2HDAC1CYP11B1 | |
| SCHEMBL1301624 | 0.73 | PAM (0.54) | HDAC1HDAC6CYP2D6CYP2C9CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973743-B1 | PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS | TARGACEPT INC (US) | 2004-08-25 | — | — | EP | disclosed |
| US-6531606-B1 | Nicotinic compound: N-methyl-4-(3-(5-phenylpyridin)yl)-3-buten-1-amine; capable of affecting nicotinic chlorinergic receptors | TARGACEPT, INC. | 2003-03-11 | — | — | US | disclosed |
| US-6274606-B1 | ADMINISTERING COMPOUNDS SUCH AS (E)-N-METHYL-4-(3-(5-ISO PROPOXYPYRIDIN)YL)-3-BUTEN-1-AMINE TO TREAT PARKINSON'S DISEASE, TOURETTE'S SYNDROME, ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA, AND ALZHEIMER'S DISEASE | TARGACEPT, INC. | 2001-08-14 | — | — | US | disclosed |
| EP-0973743-A1 | PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998037071-A1 | PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1998-08-27 | — | — | WO | disclosed |