Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8119635 | 1.00 | CYP1A2 (0.43) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL3438466 | 0.76 | ALDH1A1 (0.49) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL3438464 | 0.76 | ALDH1A1 (0.49) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL9047443 | 0.70 | CYP1A2 (0.50) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL9047452 | 0.70 | CYP1A2 (0.50) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL14223874 | 0.70 | CYP1A2 (0.50) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL3438392 | 0.70 | HTT (0.43) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL6163432 | 0.69 | CYP1A2 (0.49) | CYP1A2LMNACYP2D6MAPTCYP2C19 | |
| SCHEMBL3438205 | 0.68 | MAPT (0.48) | CYP1A2LMNAMAPTNPSR1 | |
| SCHEMBL3438204 | 0.68 | MAPT (0.48) | CYP1A2LMNAMAPTNPSR1 |
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-0971910-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998043966-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1998-10-08 | — | — | WO | disclosed |