Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL28779089 | 0.80 | NR4A2 (0.49) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL28296465 | 0.77 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL12121707 | 0.75 | GABRA1 (0.62) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL8068448 | 0.75 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL14198561 | 0.74 | ALDH1A1 (0.58) | KDM4EALDH1A1KMT2AMAPTGAA | |
| SCHEMBL27656309 | 0.73 | PTGS2 (0.49) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL27828056 | 0.72 | ABL1 (0.51) | KDM4EHPGDALDH1A1MEN1KMT2A | |
| SCHEMBL11492331 | 0.70 | KDM4E (0.54) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL6777619 | 0.70 | SLC6A3 (0.50) | GABRA1GABRG2GABRB3GABRA3KDM4E | |
| SCHEMBL12165945 | 0.70 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3KDM4E |
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 |