Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPA | P38571 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8179935 | 1.00 | LIPA (0.33) | LIPASLC6A2SLC6A4SLC6A3CYP1A1 | |
| SCHEMBL20362667 | 1.00 | LIPA (0.33) | LIPASLC6A2SLC6A4SLC6A3CYP1A1 | |
| SCHEMBL27264499 | 0.93 | CYP1A1 (0.30) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL23439149 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL9110295 | 0.83 | ALDH1A1 (0.36) | LIPA | |
| Hydrochloric Acid SCHEMBL23422073 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL27264537 | 0.80 | SLC6A2 (0.39) | LIPASLC6A2SLC6A4SLC6A3CYP1A1 | |
| SCHEMBL15261953 | 0.78 | LIPA (0.40) | LIPASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7132308 | 0.78 | LIPA (0.40) | LIPASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2568051 | 0.78 | LIPA (0.40) | LIPASLC6A2SLC6A4SLC6A3 |
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-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |