Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720768 | 0.89 | KCNH2 (0.44) | ALDH1A1POLBLOXTP53MLNR | |
| SCHEMBL14720573 | 0.85 | SRD5A2 (0.37) | ALDH1A1POLBMLNRHRH3CYP2D6 | |
| SCHEMBL14720491 | 0.85 | HRH3 (0.45) | ALDH1A1POLBTP53MLNRKDM4E | |
| SCHEMBL14721060 | 0.76 | KCNH2 (0.43) | ALDH1A1TP53KDM4EKCNH2HRH3 | |
| SCHEMBL14720551 | 0.73 | ALDH1A1 (0.56) | ALDH1A1POLBNPC1 | |
| SCHEMBL14720578 | 0.72 | KDM4E (0.47) | ALDH1A1POLBKDM4EGAAHRH3 | |
| SCHEMBL14720718 | 0.72 | HSD11B1 (0.51) | ALDH1A1POLBKDM4EGAAKCNH2 | |
| SCHEMBL14720724 | 0.70 | ALDH1A1 (0.58) | ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL14720887 | 0.70 | POLB (0.52) | ALDH1A1POLBKDM4EGAAMEN1 | |
| SCHEMBL14720486 | 0.70 | NAMPT (0.38) | ALDH1A1KDM4EHRH3KDM2BMEN1 |
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 |