Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR3 | P25089 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPR3 | P17342 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL6663166 | 0.80 | AAK1 (0.46) | FPR3FPR2AAK1PDK2KDM4E | |
| SCHEMBL6664107 | 0.80 | AKT1 (0.33) | FPR3FPR2AAK1PDK2CCNB2 | |
| SCHEMBL6658560 | 0.78 | AAK1 (0.33) | AAK1PDK2 | |
| SCHEMBL6664102 | 0.74 | MEN1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL24756448 | 0.74 | AAK1 (0.43) | FPR3FPR2AAK1NPSR1NPR3 | |
| SCHEMBL7099269 | 0.70 | TBXAS1 (0.49) | CYP1A2CYP2C9CYP2C19MEN1LMNA | |
| SCHEMBL7099273 | 0.70 | TBXAS1 (0.49) | CYP1A2CYP2C9CYP2C19MEN1LMNA | |
| SCHEMBL8429670 | 0.70 | TRPV1 (0.36) | AAK1NPSR1NPR3CYP1A2CYP3A4 | |
| SCHEMBL12678593 | 0.68 | SMN1; SMN2 (0.46) | CYP1A2CYP3A4CYP2C19MEN1LMNA | |
| SCHEMBL20334815 | 0.67 | HDAC6 (0.39) | PDK2 |
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 3 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 |