Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL541750 | 0.93 | HCAR2 (0.51) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL651119 | 0.87 | CCR6 (0.49) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL15297836 | 0.86 | HCAR2 (0.45) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL4690235 | 0.85 | HCAR2 (0.47) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL21573938 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL1517791 | 0.84 | HCAR2 (0.46) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL650849 | 0.83 | HCAR2 (0.43) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL650850 | 0.83 | HCAR2 (0.43) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL19216108 | 0.83 | SIGMAR1 (0.44) | ALDH1A1HCAR2CCR6PAX8KMT2A | |
| SCHEMBL6899637 | 0.83 | HCAR2 (0.43) | ALDH1A1HCAR2CCR6PAX8KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356125-A1 | DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | Targacept, Inc. (US) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010002971-A1 | DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2010-01-07 | — | — | WO | disclosed |