Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 2/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.35 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.35 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2728017 | 0.85 | NPSR1 (0.42) | CHEK2PTGDR2ALDH1A1SCN9ARAB9A | |
| SCHEMBL2728338 | 0.85 | CHEK2 (0.37) | CHEK2TYK2CYP3A4CYP2C9PKMYT1 | |
| SCHEMBL2726268 | 0.85 | CFTR (0.37) | CHEK2TYK2EEF2KTUBB4ATUBB | |
| SCHEMBL2726309 | 0.79 | CYP3A4 (0.42) | CHEK2EEF2KLRRK2CYP3A4CYP2C9 | |
| SCHEMBL1932926 | 0.79 | CHEK2 (0.38) | CHEK2TYK2EEF2KLRRK2CYP3A4 | |
| SCHEMBL3350408 | 0.79 | SMPD3 (0.46) | CHEK2LRRK2CYP3A4CYP2C9PKMYT1 | |
| SCHEMBL27983939 | 0.78 | CHEK2 (0.39) | CHEK2TYK2CYP3A4CYP2C9PKMYT1 | |
| SCHEMBL2733045 | 0.75 | TYK2 (0.43) | CHEK2TYK2TUBB4ATUBBTUBA3C | |
| SCHEMBL30810277 | 0.74 | CHEK2 (0.40) | CHEK2TYK2TUBB4ATUBBTUBA3C | |
| SCHEMBL30810232 | 0.74 | ACLY (0.37) | CHEK2TYK2EEF2KLRRK2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |