Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15067937 | 0.81 | GRIN2D (0.43) | ALDH1A1MAPTLMNANPSR1KDM4E | |
| SCHEMBL20155036 | 0.79 | MAPT (0.45) | ALDH1A1MAPTLMNANPSR1KDM4E | |
| SCHEMBL31440040 | 0.71 | GAA (0.46) | ALDH1A1MAPTLMNANPSR1KDM4E | |
| SCHEMBL15964511 | 0.71 | LMNA (0.36) | ALDH1A1MAPTLMNANPSR1KDM4E | |
| SCHEMBL27041924 | 0.68 | GAA (0.46) | ALDH1A1CYP3A4MAPTLMNANPSR1 | |
| SCHEMBL2070905 | 0.68 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MAPTLMNANPSR1 | |
| SCHEMBL20155077 | 0.68 | AURKA (0.30) | — | |
| SCHEMBL20545386 | 0.67 | KDM4E (0.44) | ALDH1A1MAPTLMNANPSR1KDM4E | |
| SCHEMBL19783167 | 0.66 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTLMNACTSB | |
| SCHEMBL2322399 | 0.66 | GRIN2D (0.49) | ALDH1A1CYP3A4MAPTLMNANPSR1 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |