Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720578 | 0.91 | KDM4E (0.47) | HSD11B1ALDH1A1KDM4EGAACYP2D6 | |
| SCHEMBL14720887 | 0.83 | POLB (0.52) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL14731080 | 0.81 | HSD11B1 (0.47) | HSD11B1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL23884718 | 0.79 | HSD11B1 (0.60) | HSD11B1ALDH1A1CYP2D6CYP2C19MEN1 | |
| SCHEMBL14720643 | 0.77 | OPRM1 (0.41) | KMT2ASMN1; SMN2HRH3 | |
| SCHEMBL14720768 | 0.76 | KCNH2 (0.44) | ALDH1A1KDM4EGAACYP2D6CYP2C19 | |
| SCHEMBL14720491 | 0.75 | HRH3 (0.45) | ALDH1A1KDM4EGAACYP2D6CYP2C19 | |
| SCHEMBL14720492 | 0.74 | HRH3 (0.34) | CYP2D6HRH3 | |
| SCHEMBL14720519 | 0.74 | HRH3 (0.34) | HRH3 | |
| SCHEMBL14721408 | 0.74 | HRH3 (0.34) | CYP2D6HRH3POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | claimed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |