Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 6/20 | 0.39 |
| ▸ | TTBK1 | Q5TCY1 | 3/20 | 0.36 |
| ▸ | CDC7 | O00311 | 5/20 | 0.36 |
| ▸ | CDK2 | P24941 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | PIKFYVE | Q9Y2I7 | 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 | |
|---|---|---|---|---|
| SCHEMBL11970506 | 0.91 | TTBK1 (0.36) | MAP3K14TTBK1CDC7CDK2ROCK1 | |
| SCHEMBL11970932 | 0.89 | CDC7 (0.37) | MAP3K14TTBK1CDC7CDK2JAK2 | |
| SCHEMBL11970544 | 0.86 | MAP3K14 (0.49) | MAP3K14TTBK1CDC7CDK2JAK2 | |
| SCHEMBL11970984 | 0.83 | IRAK4 (0.35) | MAP3K14TTBK1CDC7CDK2ROCK1 | |
| SCHEMBL11970664 | 0.82 | MAPT (0.40) | TTBK1 | |
| SCHEMBL11998941 | 0.81 | HTR3A (0.41) | ROCK1 | |
| SCHEMBL11970570 | 0.80 | ROCK1 (0.41) | MAP3K14TTBK1CDC7CDK2ROCK1 | |
| SCHEMBL11970918 | 0.80 | ALOX5AP (0.36) | TTBK1CDC7CDK2ROCK1 | |
| SCHEMBL11971028 | 0.78 | TTBK1 (0.44) | MAP3K14TTBK1CDC7CDK2ROCK1 | |
| SCHEMBL16532385 | 0.77 | MAP3K14 (0.55) | MAP3K14SCN9A |
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-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |