Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14720786 | 0.84 | DRD2 (0.38) | ALDH1A1KCNH2HRH3LMNAHPGD | |
| SCHEMBL14720486 | 0.83 | NAMPT (0.38) | ALDH1A1HRH3SMN1; SMN2KDM4EHPGD | |
| SCHEMBL14721060 | 0.81 | KCNH2 (0.43) | ALDH1A1KCNH2HRH3SMN1; SMN2KDM4E | |
| SCHEMBL14720887 | 0.81 | POLB (0.52) | ALDH1A1SMN1; SMN2KDM4ELMNAHPGD | |
| SCHEMBL14720144 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4ELMNAHTT | |
| SCHEMBL14720412 | 0.74 | NAMPT (0.44) | HRH3SMN1; SMN2KDM4EGAAKMT2A | |
| SCHEMBL14721402 | 0.73 | MAPT (0.44) | ALDH1A1HRH3SMN1; SMN2LMNAHPGD | |
| SCHEMBL14720817 | 0.72 | SRD5A2 (0.43) | ALDH1A1HRH3KDM4ELMNAMEN1 | |
| SCHEMBL14722546 | 0.72 | USP2 (0.45) | HRH3HPGD | |
| SCHEMBL14720831 | 0.71 | HRH3 (0.42) | 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 3 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 |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |