Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL942419 | 0.98 | TSHR (0.46) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9515002 | 0.96 | TSHR (0.48) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9515523 | 0.96 | TSHR (0.48) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL11242645 | 0.90 | ATM (0.40) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5363175 | 0.89 | TSHR (0.42) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3603184 | 0.87 | TSHR (0.41) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9009631 | 0.85 | CYP2C19 (0.37) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| Dioxane SCHEMBL6091078 | 0.85 | TSHR (0.46) | TSHRRECQLCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL18134201 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBMAPTKMT2A | |
| SCHEMBL69496 | 0.83 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBMAPTKMT2A |
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 1 patent. 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 |