Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.35 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3420197 | 0.88 | BACE1 (0.52) | BACE1SLC6A2HRH3ACHEKCNH2 | |
| SCHEMBL3142209 | 0.76 | NPC1 (0.44) | NPC1RAB9AHRH3TEAD1TEAD3 | |
| SCHEMBL3133790 | 0.76 | RAB9A (0.45) | NPC1RAB9AHRH3TEAD1TEAD3 | |
| SCHEMBL21462366 | 0.74 | KDM4E (0.42) | HRH3ACHEPOLB | |
| SCHEMBL3146491 | 0.67 | LTA4H (0.46) | BACE1HRH3TEAD1TEAD3KCNH2 | |
| SCHEMBL8265989 | 0.66 | RAB9A (0.46) | NPC1RAB9AHRH3KCNH2 | |
| SCHEMBL3135802 | 0.66 | LTA4H (0.41) | BACE1HRH3TEAD1TEAD3KCNH2 | |
| SCHEMBL3425976 | 0.65 | NOS2 (0.47) | BACE1SLC6A2HRH3ACHEHTR2A | |
| SCHEMBL7446354 | 0.64 | LTA4H (0.52) | HRH3KCNH2HRH1 | |
| SCHEMBL28429820 | 0.64 | NPC1 (0.40) | NPC1RAB9AHRH3TEAD1TEAD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7666868-B2 | e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders | 4SC AG (DE) | 2010-02-23 | — | — | US | disclosed |