Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CFTR | P13569 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27656309 | 0.85 | PTGS2 (0.49) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL8071055 | 0.77 | ALDH1A1 (0.51) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL8608047 | 0.77 | PTGS2 (0.52) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL8611031 | 0.76 | PTGS2 (0.48) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL12121707 | 0.76 | GABRA1 (0.62) | GABRA1GABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL8608965 | 0.75 | PTGS2 (0.47) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL19134230 | 0.74 | KDM4E (0.45) | ALDH1A1HPGDGAAMAPTCFTR | |
| SCHEMBL27717289 | 0.74 | ALDH1A1 (0.51) | GABRA1GABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL1258909 | 0.73 | PTGS2 (0.61) | PTGS2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL21857446 | 0.73 | KDM4E (0.64) | GABRA1GABRG2GABRB3GABRA3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |