Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707670 | 0.76 | KCNJ11 (0.31) | CYP11B1CYP11B2KCNJ11BACE1 | |
| SCHEMBL7699851 | 0.76 | BACE1 (0.31) | BACE1 | |
| SCHEMBL28020022 | 0.75 | GPR3 (0.44) | CNR2CYP11B1CYP11B2KCNJ11KDM4E | |
| SCHEMBL7705238 | 0.74 | KIF11 (0.44) | CNR2CYP11B2KDM4ESCN9ABACE1 | |
| SCHEMBL11287914 | 0.72 | NOTUM (0.43) | CNR2 | |
| SCHEMBL5323119 | 0.70 | CYP1A1 (0.39) | CNR2KDM4EHPGDKCNQ3KCNQ2 | |
| SCHEMBL7705812 | 0.69 | CYP1A2 (0.43) | CNR2KDM4EMEN1KMT2AHPGD | |
| SCHEMBL7705830 | 0.69 | GAA (0.39) | DHODHKDM4EMEN1KMT2AHPGD | |
| SCHEMBL8702319 | 0.69 | HSD11B1 (0.43) | DHODHCYP11B1CYP11B2KDM4EMEN1 | |
| SCHEMBL27673969 | 0.69 | PARP1 (0.40) | CNR2KDM4EMEN1KMT2AHSD11B1 |
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 |