Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17065013 | 0.90 | CYP3A4 (0.44) | ALDH1A1HSD17B10CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL6687691 | 0.84 | ALDH1A1 (0.39) | ALDH1A1KDM4EHSD17B10FPR2CYP2C9 | |
| SCHEMBL29062262 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10P2RX7MAPT | |
| SCHEMBL28143235 | 0.79 | TP53 (0.53) | ALDH1A1MAPTRAB9ASMN1; SMN2THRB | |
| SCHEMBL2425571 | 0.78 | SMN1; SMN2 (0.46) | ALDH1A1KDM4EHSD17B10FPR2CYP2C9 | |
| SCHEMBL14428532 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10CYP2C9CYP3A4 | |
| SCHEMBL5378828 | 0.76 | SLC6A4 (0.42) | ALDH1A1KDM4EHSD17B10FPR2CYP3A4 | |
| SCHEMBL12282165 | 0.74 | SLC6A4 (0.45) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL29587838 | 0.73 | ALDH1A1 (0.39) | ALDH1A1KDM4EHSD17B10CYP2C9CYP3A4 | |
| SCHEMBL28144222 | 0.73 | RAB9A (0.58) | ALDH1A1KDM4EHSD17B10CYP2C9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004108668-A2 | ALPHA-7 NEURONAL NICOTINIC RECEPTOR LIGANDS: COMPOSITIONS AND METHODS OF USE | TARGACEPT, INC. (US) | 2004-12-16 | — | — | WO | disclosed |
| EP-0994875-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999000385-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-01-07 | — | — | WO | disclosed |