Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27432710 | 0.78 | PTGS2 (0.55) | KMT2ATDP1TDP2NSD2ABL1 | |
| SCHEMBL28302086 | 0.75 | ADRB2 (0.57) | ADRB2KMT2AMEN1RIPK1MKNK1 | |
| SCHEMBL27983657 | 0.73 | MAPK1 (0.46) | ADRB2CYP11B1CYP11B2 | |
| SCHEMBL5700281 | 0.73 | KDM4E (0.47) | KMT2ATDP1TDP2NSD2ABL1 | |
| SCHEMBL28146267 | 0.71 | CYP1A2 (0.46) | TDP1BLMKDM4EALDH1A1HPGD | |
| SCHEMBL19961426 | 0.71 | CYP11B1 (0.44) | KDM4ECYP11B1CYP11B2 | |
| SCHEMBL28051298 | 0.71 | MKNK1 (0.54) | ADRB2MKNK1MKNK2 | |
| SCHEMBL31092839 | 0.70 | HDAC8 (0.45) | KMT2ATDP1TDP2NSD2ABL1 | |
| SCHEMBL29249875 | 0.70 | HDAC8 (0.45) | KMT2ATDP1TDP2NSD2ABL1 | |
| SCHEMBL4211459 | 0.69 | PTGS2 (0.63) | PTGS1PTGS2 |
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 |