Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26301211 | 0.82 | ALDH1A1 (0.50) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL13682551 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL312091 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29546450 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL5164 | 0.77 | ALDH1A1 (0.57) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29369904 | 0.77 | ALDH1A1 (0.57) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| Benzene SCHEMBL28146981 | 0.77 | ALDH1A1 (0.57) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29398919 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL191276 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL15624388 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 |
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 |
| 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 |
| US-20060223850-A1 | 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors | MERCK FROSST CANADA & CO. (CA) | 2006-10-05 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060223850-A1 | 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors | PDE4A, PDE4B, PDE3B | ALDH1A1 408/4885GABRG2 2944/4885GABRB3 2249/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.