Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096552 | 0.78 | ELANE (0.33) | — | |
| SCHEMBL4521914 | 0.78 | GAA (0.51) | KMT2AALDH1A1TSHRGAAL3MBTL1 | |
| SCHEMBL8850898 | 0.75 | ALDH1A1 (0.43) | CYP2D6ALDH1A1TSHRGAASOAT1 | |
| SCHEMBL2326273 | 0.75 | ALDH1A1 (0.42) | KMT2AALDH1A1TSHRMAPK1GAA | |
| SCHEMBL6195344 | 0.73 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRGAASOAT1 | |
| SCHEMBL2322368 | 0.73 | ALDH1A1 (0.38) | KMT2ACYP2D6ALDH1A1ALOX15MAPK1 | |
| SCHEMBL7782039 | 0.72 | ALDH1A1 (0.40) | KMT2AALDH1A1TSHRGAASOAT1 | |
| SCHEMBL8683134 | 0.70 | ALDH1A1 (0.50) | KMT2AALDH1A1ALOX15TSHRGAA | |
| SCHEMBL8681188 | 0.70 | ALDH1A1 (0.50) | KMT2AALDH1A1ALOX15TSHRGAA | |
| SCHEMBL160444 | 0.70 | GAA (0.41) | KMT2AALDH1A1TSHRGAAL3MBTL1 |
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 4 patents. 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 |
| EP-2357173-A1 | New alkyne compounds with MCH-antagonistic activity and medicaments containing them | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-1558578-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004039780-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-13 | — | — | WO | disclosed |