Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22960731 | 0.83 | GRIK1 (0.32) | GRIK1GRIK2 | |
| SCHEMBL31301962 | 0.82 | CYP2D6 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28507298 | 0.80 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL14524872 | 0.80 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7275993 | 0.79 | ALDH1A1 (0.44) | GRIK1GRIK2TSHRALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL6972258 | 0.78 | LMNA (0.43) | GRIK1GRIK2TSHRALDH1A1LMNA | |
| SCHEMBL28073409 | 0.78 | ALDH1A1 (0.41) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL2189972 | 0.77 | GRIK1 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL2189967 | 0.77 | GRIK1 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7052679 | 0.77 | GRIK1 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |