Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.43 |
| ▸ | MARS1 | P56192 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.39 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291165 | 0.92 | CNR1 (0.46) | CNR1CNR2PTGER1P2RY14MARS1 | |
| SCHEMBL1739742 | 0.87 | CNR1 (0.48) | CNR1CNR2PSMB8PSMB9KDM4E | |
| SCHEMBL1741747 | 0.79 | CNR1 (0.42) | CNR1CNR2PSMB8PSMB9KDM4E | |
| SCHEMBL1741743 | 0.79 | CNR1 (0.42) | CNR1CNR2PSMB8PSMB9KDM4E | |
| SCHEMBL1741750 | 0.79 | CNR1 (0.44) | CNR1CNR2PSMB8PSMB9KDM4E | |
| SCHEMBL2799347 | 0.79 | CNR1 (0.45) | CNR1CNR2PSMB8PSMB9L3MBTL1 | |
| SCHEMBL15567074 | 0.78 | PSMB8 (0.52) | CNR1CNR2PTGER1KMOP2RY14 | |
| SCHEMBL19634927 | 0.75 | FAAH (0.48) | CNR1CNR2KDM4EKMT2APLAT | |
| SCHEMBL11927683 | 0.75 | PSMB8 (0.49) | CNR1CNR2PTGER1KMOP2RY14 | |
| SCHEMBL1739383 | 0.72 | CTSK (0.40) | CNR1CNR2PSMB8PSMB9CCR5 |
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 |