Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4517578 | 0.86 | HTR1B (0.53) | HTR1BMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL15441046 | 0.84 | SMN1; SMN2 (0.57) | HTR1BMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL2322184 | 0.84 | LTA4H (0.61) | HTR1BMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL6593991 | 0.84 | MEN1 (0.85) | HTR1BMEN1KMT2ASMN1; SMN2LTA4H | |
| SCHEMBL2321215 | 0.84 | SMN1; SMN2 (0.57) | HTR1BMEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL2329109 | 0.84 | ALDH1A1 (0.67) | MEN1KMT2ASMN1; SMN2LMNALTA4H | |
| SCHEMBL227430 | 0.83 | LTA4H (0.60) | HTR1BMEN1KMT2ASMN1; SMN2LTA4H | |
| SCHEMBL226018 | 0.83 | LTA4H (0.60) | HTR1BMEN1KMT2ASMN1; SMN2LTA4H | |
| SCHEMBL2323789 | 0.83 | LTA4H (0.66) | HTR1BMEN1KMT2ASMN1; SMN2LTA4H | |
| SCHEMBL4478052 | 0.82 | MEN1 (0.61) | HTR1BMEN1KMT2ASMN1; SMN2LTA4H |
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 |