Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519954 | 0.69 | HRH3 (0.46) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL2322996 | 0.68 | HRH3 (0.47) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL14909587 | 0.68 | HRH3 (0.40) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL2143951 | 0.68 | HRH3 (0.46) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL481835 | 0.68 | CYP1A2 (0.48) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL28133426 | 0.66 | HRH3 (0.46) | HRH3SIGMAR1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL11779600 | 0.65 | HTT (0.46) | HTT | |
| SCHEMBL1252367 | 0.65 | GFER (0.47) | L3MBTL1TDP1CYP1A2CYP2D6HTT | |
| SCHEMBL1252026 | 0.64 | TSHR (0.50) | HRH3L3MBTL1TDP1CYP1A2CYP2D6 | |
| SCHEMBL4060108 | 0.63 | TOP2A (0.43) | HRH3 |
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-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 |