Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720988 | 0.79 | SRD5A2 (0.49) | ALDH1A1NPC1RAB9AHPGDKDM4E | |
| SCHEMBL14720818 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AHPGDKDM4E | |
| SCHEMBL14722886 | 0.72 | HRH3 (0.39) | ALDH1A1LMNAKDM4EHRH3POLB | |
| SCHEMBL14720677 | 0.72 | SRD5A2 (0.50) | ALDH1A1NPC1RAB9ALMNAKDM4E | |
| SCHEMBL30666379 | 0.72 | ALDH1A1 (0.77) | ALDH1A1NPC1RAB9ALMNAHPGD | |
| SCHEMBL13813914 | 0.70 | NPC1 (0.46) | ALDH1A1NPC1RAB9ALMNAHPGD | |
| SCHEMBL11870030 | 0.70 | NPC1 (0.60) | ALDH1A1NPC1RAB9ALMNAHPGD | |
| SCHEMBL11870024 | 0.70 | NPC1 (0.60) | ALDH1A1NPC1RAB9ALMNAHPGD | |
| SCHEMBL14721702 | 0.69 | HRH3 (0.39) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL16565831 | 0.69 | NPSR1 (0.60) | ALDH1A1NPC1RAB9ALMNAHPGD |
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 1 patent. 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 |