Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21564708 | 0.79 | LMNA (0.43) | RAB9ASLC6A4KCNH2POLBKMT2A | |
| SCHEMBL21549993 | 0.79 | OPRM1 (0.38) | NPC1RAB9ACYP2D6CRHR1GAA | |
| SCHEMBL20158076 | 0.77 | POLB (0.40) | NPC1RAB9ACYP3A4SLC6A2KDM4E | |
| SCHEMBL20157925 | 0.77 | ALDH1A1 (0.36) | SLC6A2MAPTACHE | |
| SCHEMBL21550051 | 0.75 | ALDH1A1 (0.38) | NPC1RAB9ACYP3A4SLC6A2POLB | |
| SCHEMBL21564749 | 0.74 | CYP1A2 (0.41) | NPC1RAB9ACYP3A4CYP2D6SLC6A2 | |
| SCHEMBL4705342 | 0.73 | HPGD (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21550094 | 0.73 | SMN1; SMN2 (0.33) | NPC1RAB9ASLC6A2CRHR1KMT2A | |
| SCHEMBL21564854 | 0.72 | LMNA (0.34) | NPC1RAB9ASLC6A2KDM4ECRHR1 | |
| SCHEMBL21550077 | 0.72 | TRPA1 (0.33) | RAB9ASLC6A2KMT2AMAPT |
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-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |