Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL679626 | 0.76 | TSHR (0.56) | TRPA1ALDH1A1TSHRHRH3HRH4 | |
| SCHEMBL9609757 | 0.76 | TSHR (0.56) | TRPA1ALDH1A1TSHRHRH3HRH4 | |
| SCHEMBL6208982 | 0.75 | ALDH1A1 (0.44) | ALDH1A1 | |
| Methane SCHEMBL11480910 | 0.73 | TSHR (0.53) | TRPA1ALDH1A1TSHRHRH3HRH4 | |
| Water SCHEMBL11481683 | 0.73 | TSHR (0.53) | TRPA1ALDH1A1TSHRHRH3HRH4 | |
| SCHEMBL9176921 | 0.73 | NISCH (0.44) | HRH3 | |
| SCHEMBL131361 | 0.72 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL6209310 | 0.72 | CYP2A6 (0.44) | ALDH1A1 | |
| SCHEMBL20272050 | 0.71 | NISCH (0.41) | ALDH1A1TSHR | |
| SCHEMBL8885877 | 0.71 | ACMSD (0.44) | TRPA1ALDH1A1TSHRHRH3 |
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-0920424-A1 | NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998007718-A1 | NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1998-02-26 | — | — | WO | disclosed |