Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | BRS3 | P32247 | 5/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3515660 | 0.85 | NR1H2 (0.52) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL9854183 | 0.85 | ACHE (0.48) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL283 | 0.85 | SLC6A3 (0.48) | ALDH1A1ACHEBRS3SLC6A3SLC6A4 | |
| SCHEMBL8875151 | 0.85 | ACHE (0.48) | ALDH1A1ACHEBRS3SLC6A3SLC6A4 | |
| SCHEMBL6983827 | 0.83 | ACHE (0.46) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL489306 | 0.82 | NR1H2 (0.48) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL4080196 | 0.82 | BRS3 (0.47) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL9447390 | 0.80 | ACHE (0.46) | ACHEBRS3SLC6A3SLC6A4LTB4R2 | |
| SCHEMBL29389473 | 0.80 | BCAT2 (0.52) | ALDH1A1SLC6A3SLC6A4LMNACHRNB2 | |
| SCHEMBL9531321 | 0.80 | BCAT2 (0.52) | ALDH1A1SLC6A3SLC6A4LMNACHRNB2 |
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-2083822-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008051404-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |