Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4331659 | 0.86 | KCNH2 (0.54) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL1544228 | 0.85 | KCNH2 (0.39) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL27788275 | 0.85 | BCHE (0.37) | KCNH2NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL27788283 | 0.85 | KCNH2 (0.41) | KCNH2NPC1RAB9ABCHECYP3A4 | |
| SCHEMBL1543777 | 0.84 | TLR8 (0.40) | KCNH2CYP3A4MEN1KMT2A | |
| SCHEMBL27810138 | 0.84 | KCNH2 (0.66) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL27788491 | 0.83 | KCNH2 (0.54) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL1543853 | 0.82 | KCNH2 (0.54) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL1543735 | 0.82 | KCNH2 (0.54) | KCNH2NPC1RAB9ATP53TSHR | |
| SCHEMBL1544379 | 0.82 | KCNH2 (0.54) | KCNH2NPC1RAB9ATP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101723941-A | “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator | ASTRAZENECA AB | 2010-06-09 | — | — | CN | claimed |
| CN-101723941-A | “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator | ASTRAZENECA AB | 2010-06-09 | — | — | CN | disclosed |