Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1005178 | 0.80 | MAOA (0.44) | PTGS2ALDH1A1TRIM24TRIM33CA12 | |
| SCHEMBL27299439 | 0.78 | PTGS2 (0.55) | CYP1A2PTGS2ALDH1A1SYKALDH1A3 | |
| SCHEMBL4801769 | 0.78 | TUBB4A (0.50) | CYP1A1CYP1A2CYP1B1ALDH1A1TUBB4A | |
| SCHEMBL21507968 | 0.75 | ENPP3 (0.46) | PTGS2SYKALDH1A3AR | |
| SCHEMBL5465791 | 0.73 | KIF11 (0.52) | — | |
| SCHEMBL3783494 | 0.73 | MAOA (0.59) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL17283465 | 0.73 | PTGS2 (0.63) | CYP1A2PTGS2ALDH1A1HAO1ALDH1A3 | |
| SCHEMBL4797229 | 0.73 | ALDH1A1 (0.61) | CYP1A1CYP1A2CYP1B1ALDH1A1AKR1C3 | |
| SCHEMBL403028 | 0.73 | PTGS2 (0.63) | CYP1A2PTGS2ALDH1A1HAO1ALDH1A3 | |
| SCHEMBL10300271 | 0.72 | ALDH1A1 (0.50) | PTGS2ALDH1A1HAO1 |
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-1397359-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002094823-A1 | 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-11-28 | — | — | WO | disclosed |