Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14723376 | 0.83 | MEN1 (0.42) | ALDH1A1SRD5A2HRH3MEN1KMT2A | |
| SCHEMBL14720733 | 0.82 | DRD2 (0.35) | ALDH1A1POLBSRD5A2OPRM1OPRL1 | |
| SCHEMBL14720812 | 0.81 | HRH3 (0.34) | SRD5A2OPRM1OPRL1HRH3 | |
| SCHEMBL14721195 | 0.81 | MEN1 (0.40) | ALDH1A1SRD5A2HRH3MEN1KMT2A | |
| SCHEMBL14721332 | 0.80 | HRH3 (0.39) | SRD5A2OPRM1OPRL1HRH3MEN1 | |
| SCHEMBL14721633 | 0.79 | HRH3 (0.36) | OPRM1OPRL1HRH3MEN1KMT2A | |
| SCHEMBL14720765 | 0.79 | KMT2A (0.38) | ALDH1A1POLBHTTGAAMEN1 | |
| SCHEMBL14720774 | 0.79 | HRH3 (0.40) | SRD5A2OPRM1OPRL1HRH3MEN1 | |
| SCHEMBL14720563 | 0.79 | OPRM1 (0.36) | ALDH1A1POLBSRD5A2OPRM1MEN1 | |
| SCHEMBL14720457 | 0.78 | HRH3 (0.33) | ALDH1A1SRD5A2OPRM1OPRL1HRH3 |
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 | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |