Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8249688 | 0.75 | MAOA (0.50) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL417479 | 0.74 | — | — | |
| SCHEMBL5779052 | 0.73 | TSHR (0.32) | TSHR | |
| SCHEMBL11544480 | 0.71 | LTA4H (0.44) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3741855 | 0.71 | KMO (0.53) | KMT2AMEN1TSHRPARP1 | |
| SCHEMBL45718 | 0.69 | ALDH1A1 (0.60) | ALDH1A1MAPK1CRHBPCRHR2NPC1 | |
| SCHEMBL1562747 | 0.69 | ALDH1A1 (0.60) | ALDH1A1MAPK1KMT2AMEN1CRHBP | |
| SCHEMBL28199592 | 0.69 | ALDH1A1 (0.58) | ALDH1A1MAPK1KMT2AMEN1CRHBP | |
| SCHEMBL1585710 | 0.69 | L3MBTL1 (0.50) | ALDH1A1KMT2AMEN1CA12CA1 | |
| SCHEMBL5164 | 0.67 | ALDH1A1 (0.57) | ALDH1A1MAPK1KMT2AMEN1CRHBP |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482456-B2 | antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol | MERCK FROSST CANADA | 2009-01-27 | — | — | US | disclosed |
| 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 |
| EP-1635829-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004096220-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-11-11 | — | — | WO | disclosed |