Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18015402 | 0.81 | NPC1 (0.53) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL27795042 | 0.80 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL19933574 | 0.80 | NPC1 (0.52) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL1416706 | 0.78 | NPC1 (0.55) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL28307106 | 0.78 | NPC1 (0.46) | RAB9ASMN1; SMN2NPC1TP53FYN | |
| SCHEMBL27618211 | 0.77 | NPC1 (0.53) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL13776805 | 0.75 | TAAR1 (0.42) | — | |
| SCHEMBL27635241 | 0.74 | CYP19A1 (0.38) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL15747736 | 0.73 | NPC1 (0.53) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL28146267 | 0.72 | CYP1A2 (0.46) | RAB9ASMN1; SMN2NPC1L3MBTL1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100441185-C | 8- (3-biaryl) phenylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2008-12-10 | — | — | CN | disclosed |
| CN-1812787-A | 8- (3-biaryl) phenylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA INC (CA) | 2006-08-02 | — | — | CN | disclosed |