Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL2729192 | 0.85 | CHEK2 (0.40) | CHEK2CYP3A4CYP2C9PKMYT1TYK2 | |
| SCHEMBL2728017 | 0.84 | NPSR1 (0.42) | CHEK2CDC7KDM4EALDH1A1SCN9A | |
| SCHEMBL2726268 | 0.77 | CFTR (0.37) | CHEK2CYP3A4CYP2C9PKMYT1TYK2 | |
| SCHEMBL2726309 | 0.72 | CYP3A4 (0.42) | CHEK2CYP3A4CYP2C9PKMYT1SIRT3 | |
| SCHEMBL1932926 | 0.71 | CHEK2 (0.38) | CHEK2CYP3A4CYP2C9PKMYT1TDP1 | |
| SCHEMBL3350408 | 0.71 | SMPD3 (0.46) | CHEK2CYP3A4CYP2C9PKMYT1HDAC1 | |
| SCHEMBL28531660 | 0.70 | SIRT3 (0.36) | PKMYT1SIRT3TDP1ADORA3TSHR | |
| SCHEMBL2728335 | 0.69 | TGFBR1 (0.42) | CYP3A4CYP2C9PKMYT1ADORA3TSHR | |
| SCHEMBL27983939 | 0.68 | CHEK2 (0.39) | CHEK2CYP3A4CYP2C9PKMYT1ADORA3 | |
| SCHEMBL27986525 | 0.67 | CHEK2 (0.45) | CHEK2SIRT3TDP1ADORA3TSHR |
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 |