Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720473 | 0.87 | SRD5A2 (0.48) | ALDH1A1KDM4ESMN1; SMN2ATMNPSR1 | |
| SCHEMBL14721173 | 0.83 | LRRK2 (0.54) | ALDH1A1KDM4EL3MBTL1HRH3LRRK2 | |
| SCHEMBL14720680 | 0.81 | SRD5A2 (0.44) | ALDH1A1KDM4EL3MBTL1HSP90AA1HSP90AB1 | |
| SCHEMBL14721178 | 0.78 | HRH3 (0.43) | ALDH1A1KDM4ESMN1; SMN2HRH3NPC1 | |
| SCHEMBL14720690 | 0.78 | KMT2A (0.45) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL14720751 | 0.76 | HRH3 (0.52) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2HRH3 | |
| SCHEMBL1789885 | 0.76 | HRH3 (0.62) | HRH3OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL14721335 | 0.76 | HRH3 (0.39) | ALDH1A1KDM4EL3MBTL1NPSR1HRH3 | |
| SCHEMBL14720692 | 0.75 | HRH3 (0.40) | HRH3SRD5A2 | |
| SCHEMBL12497138 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KDM4EL3MBTL1SMN1; SMN2HSP90AA1 |
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 |