Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4626311 | 0.89 | ALDH1A1 (0.75) | TSHRALDH1A1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL2092331 | 0.82 | SLC6A4 (0.58) | TSHRALDH1A1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL5450666 | 0.82 | SLC6A4 (0.54) | TSHRALDH1A1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL29324731 | 0.81 | SIGMAR1 (0.86) | SIGMAR1HRH3KCNH2 | |
| SCHEMBL19253116 | 0.80 | SIGMAR1 (0.62) | ALDH1A1SIGMAR1HRH3KCNH2 | |
| SCHEMBL18164592 | 0.80 | SIGMAR1 (0.54) | TSHRALDH1A1SIGMAR1HRH3KCNH2 | |
| SCHEMBL4704073 | 0.79 | SPHK1 (0.55) | TSHRALDH1A1SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL2157301 | 0.79 | LTA4H (0.55) | ALDH1A1SLC6A4SLC6A3KMT2AKCNH2 | |
| SCHEMBL2158179 | 0.79 | KCNH2 (0.64) | ACHEHRH3KCNH2 | |
| SCHEMBL2157359 | 0.79 | KCNH2 (0.61) | TSHRALDH1A1SLC6A4SLC6A3HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1687288-B1 | SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE | WYETH CORP (US) | 2008-01-16 | — | — | EP | disclosed |