Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7705808 | 0.76 | DHODH (0.36) | KCNJ11CYP11B1CYP11B2BACE1 | |
| SCHEMBL7699851 | 0.73 | BACE1 (0.31) | BACE1 | |
| SCHEMBL7705238 | 0.71 | KIF11 (0.44) | CYP11B2BACE1 | |
| SCHEMBL7705819 | 0.70 | CFTR (0.38) | — | |
| SCHEMBL27658650 | 0.67 | CYP1A2 (0.39) | — | |
| SCHEMBL11287914 | 0.66 | NOTUM (0.43) | — | |
| SCHEMBL7704880 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL7704656 | 0.64 | ERN1 (0.39) | — | |
| SCHEMBL8995621 | 0.63 | CES2 (0.31) | — | |
| SCHEMBL7221654 | 0.63 | ESR1 (0.41) | — |
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-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |