Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ispronicline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 3/20 | 0.72 |
| ▸ | CHRNA4 known ✓ | P43681 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.37 |
| ▸ | GCK | P35557 | 6/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| Ispronicline SCHEMBL578852 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL17221831 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL15207378 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL2477538 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL618630 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL4942703 | 1.00 | CHRNB2 (0.72) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL17221827 | 0.94 | CHRNB2 (0.63) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL4942671 | 0.94 | CHRNB2 (0.63) | CHRNB2CHRNA4KMT2ARXRARXRB | |
| Ispronicline SCHEMBL4942680 | 0.91 | CHRNB2 (0.71) | CHRNB2CHRNA4KMT2AGCKCHRNB4 | |
| Ispronicline SCHEMBL17221829 | 0.91 | CHRNB2 (0.71) | CHRNB2CHRNA4KMT2AGCKCHRNB4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814852-B1 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | CATALYST BIOSCIENCES INC (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2371818-B1 | Hydroxybenzoate salts of metanicotine compounds | TARGACEPT INC (US) | 2012-12-26 | — | — | EP | disclosed |
| EP-2371818-A1 | Hydroxybenzoate salts of metanicotine compounds | Targacept, Inc. (US) | 2011-10-05 | — | — | EP | disclosed |
| EP-1814852-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1814853-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053082-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006053039-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |