Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 8/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14721332 | 0.99 | HRH3 (0.39) | HRH3MEN1KMT2ACCR1SRD5A2 | |
| SCHEMBL14721633 | 0.90 | HRH3 (0.36) | HRH3MEN1KMT2ACCR1OPRM1 | |
| SCHEMBL14720746 | 0.89 | HRH3 (0.38) | HRH3MEN1KMT2ACCR1OPRL1 | |
| SCHEMBL14720807 | 0.88 | HRH3 (0.36) | HRH3MEN1KMT2ACCR1OPRL1 | |
| SCHEMBL14731091 | 0.87 | OPRM1 (0.35) | HRH3MEN1KMT2ACCR1SRD5A2 | |
| SCHEMBL14720847 | 0.86 | HRH3 (0.38) | HRH3MEN1KMT2ACCR1SRD5A2 | |
| SCHEMBL14720519 | 0.86 | HRH3 (0.34) | HRH3CCR1SLC18A3 | |
| SCHEMBL14720966 | 0.86 | HRH3 (0.36) | HRH3CCR1SRD5A2OPRL1SLC18A3 | |
| SCHEMBL14720603 | 0.86 | HRH3 (0.36) | HRH3CCR1SRD5A2OPRL1SLC18A3 | |
| SCHEMBL14720602 | 0.86 | HRH3 (0.36) | HRH3CCR1SRD5A2OPRL1SLC18A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | claimed |
| EP-2744788-A1 | BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013028382-A1 | BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |