Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.48 |
| ▸ | CNR2 | P34972 | 3/20 | 0.48 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.42 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2799347 | 0.93 | CNR1 (0.45) | CNR1CNR2PSMB8PSMB9CCR5 | |
| SCHEMBL1738181 | 0.87 | CNR1 (0.49) | CNR1CNR2PSMB8PSMB9KDM4E | |
| SCHEMBL1741747 | 0.83 | CNR1 (0.42) | CNR1CNR2PSMB8PSMB9FAAH | |
| SCHEMBL1741743 | 0.83 | CNR1 (0.42) | CNR1CNR2PSMB8PSMB9FAAH | |
| SCHEMBL29291165 | 0.79 | CNR1 (0.46) | CNR1CNR2KDM4E | |
| SCHEMBL1741750 | 0.78 | CNR1 (0.44) | CNR1CNR2PSMB8PSMB9FAAH | |
| SCHEMBL19634927 | 0.74 | FAAH (0.48) | CNR1CNR2FAAHKDM4ECYP1A2 | |
| SCHEMBL5449676 | 0.74 | PRCP (0.45) | CCR5 | |
| SCHEMBL2795047 | 0.72 | PSMB8 (0.44) | CNR1CNR2PSMB8PSMB9FAAH | |
| SCHEMBL1232406 | 0.72 | AURKA (0.55) | KDM4ELMNAMAPK1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |