Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31024085 | 0.96 | NPC1 (0.47) | NPC1RAB9ALMNATP53PKM | |
| SCHEMBL3194072 | 0.93 | HDAC4 (0.44) | NPC1RAB9ALMNATP53PKM | |
| SCHEMBL30977435 | 0.79 | HDAC4 (0.39) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL31024054 | 0.78 | KDM4E (0.43) | HDAC4MAP4K4ABL1MAPK8CSNK1A1 | |
| SCHEMBL29548842 | 0.77 | MAP4K4 (0.35) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31308576 | 0.70 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2HDAC4ALDH1A1 | |
| SCHEMBL16540487 | 0.70 | CYP11B1 (0.36) | NPC1RAB9ALMNATP53PKM | |
| SCHEMBL16225126 | 0.69 | HDAC4 (0.41) | NPC1RAB9ATP53HDAC4MAP4K4 | |
| SCHEMBL14149194 | 0.69 | HDAC4 (0.41) | NPC1RAB9ATP53HDAC4MAP4K4 | |
| SCHEMBL11658910 | 0.68 | ALDH1A1 (0.46) | NPC1RAB9ALMNASMN1; SMN2MAP4K4 |
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-2009029625-A1 | 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029625-A1 | 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |