Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 4/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CPN1 | P15169 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8981460 | 0.73 | TSHR (0.47) | CYP3A4CPN1CPB2TP53ALDH1A1 | |
| SCHEMBL9157662 | 0.72 | CYP3A4 (0.47) | CYP3A4ADRB1CPN1CPB2TP53 | |
| SCHEMBL20852303 | 0.72 | CYP3A4 (0.47) | CYP3A4ADRB1CPN1CPB2TP53 | |
| SCHEMBL17463843 | 0.72 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10061639 | 0.72 | MAPKAPK2 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31226606 | 0.72 | MAPKAPK2 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6253341 | 0.72 | ADRB2 (0.42) | TACR1ADRB2 | |
| SCHEMBL13457240 | 0.72 | CYP3A4 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6252747 | 0.72 | ADRB2 (0.42) | TACR1ADRB2 | |
| SCHEMBL6251446 | 0.72 | ADRB2 (0.42) | TACR1ADRB2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171127-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT INC (US) | 2005-09-14 | — | — | EP | disclosed |
| US-6489349-B1 | TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE | TARGACEPT, INC. | 2002-12-03 | — | — | US | disclosed |
| EP-1214288-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | Targacept Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| EP-1171127-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | Targacept, Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6337351-B1 | AROMATIC OLEFIN AMINES | TARGACEPT, INC. | 2002-01-08 | — | — | US | disclosed |
| US-6310102-B1 | OXY OR HYDROXY OR NITRO SUBSTITUTED PHENYLALKYLENE AMINE DERIVATIVE USED FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER CHARACTERIZED BY AN ALTERATION IN NORMAL NEUROTRANSMITTER RELEASE | TARGACEPT, INC. | 2001-10-30 | — | — | US | disclosed |
| US-6262124-B1 | FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS | TARGACEPT, INC., A CORPORATION OF DELAWARE | 2001-07-17 | — | — | US | disclosed |
| WO-2001017943-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | TARGACEPT, INC. (US) | 2001-03-15 | — | — | WO | disclosed |
| US-6166048-A | Pharmaceutical compositions for inhibition of cytokine production and secretion | TARGACEPT, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000062767-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION | TARGACEPT, INC. (US) | 2000-10-26 | — | — | WO | disclosed |
| EP-1042274-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-2000023418-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-04-27 | — | — | WO | disclosed |