Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14878894 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRRAPGEF4PDE10A | |
| Hydrochloric Acid SCHEMBL10619129 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRRAPGEF4PDE10A | |
| SCHEMBL27849756 | 0.77 | CYP3A4 (0.41) | ALDH1A1TSHR | |
| SCHEMBL27725921 | 0.77 | — | — | |
| SCHEMBL27719791 | 0.74 | CYP3A4 (0.45) | ALDH1A1TSHRRAPGEF4 | |
| SCHEMBL27849706 | 0.72 | GLA (0.38) | TSHR | |
| SCHEMBL20344365 | 0.70 | TTR (0.48) | ALDH1A1TSHRPDE10A | |
| SCHEMBL13928793 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHRPDE10A | |
| SCHEMBL526416 | 0.68 | ALDH1A1 (0.47) | ALDH1A1TSHRPDE10A | |
| SCHEMBL112391 | 0.67 | ALDH1A1 (0.53) | ALDH1A1TSHRPDE10A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101142174-B | Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same | AMOREPACIFIC CORP | 2012-05-09 | — | — | CN | disclosed |
| CN-101163670-A | Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist, and pharmaceutical compositions containing the same | AMOREPACIFIC CORP (KR) | 2008-04-16 | — | — | CN | disclosed |
| CN-101142174-A | Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof; and pharmaceutical compositions comprising the same | AMOREPACIFIC CORP (KR) | 2008-03-12 | — | — | CN | disclosed |