Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPY1R | P25929 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9004701 | 0.84 | PDK1 (0.37) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL107210 | 0.78 | ALDH1A1 (0.35) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL10293225 | 0.76 | PDK1 (0.33) | PDK1TSHRALDH1A1TDP1HPGD | |
| SCHEMBL27583174 | 0.75 | FABP3 (0.38) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL9004951 | 0.74 | PDK1 (0.40) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL9004707 | 0.72 | FABP4 (0.45) | PDK1TSHRALDH1A1TDP1MEN1 | |
| Silver SCHEMBL5376950 | 0.71 | FABP3 (0.34) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL5388305 | 0.71 | FABP3 (0.49) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL178363 | 0.71 | FABP3 (0.49) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL9004731 | 0.71 | ALDH1A1 (0.36) | TSHRALDH1A1TDP1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649062-A1 | BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) | Takeda Pharmaceutical Company Limited (JP) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012074126-A9 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-06 | — | — | WO | disclosed |
| WO-2012074126-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-06-07 | — | — | WO | disclosed |