Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595343 | 0.85 | PDK1 (0.38) | PDK1TAS1R3TAS1R1MAPTPKM | |
| SCHEMBL2593271 | 0.78 | SMN1; SMN2 (0.36) | ALDH1A1CYP2C19 | |
| SCHEMBL2593221 | 0.77 | ALDH1A1 (0.43) | PDK1TAS1R3TAS1R1MAPTPKM | |
| SCHEMBL2589836 | 0.77 | MAPT (0.42) | PDK1MAPTALDH1A1CYP2C19 | |
| SCHEMBL2589839 | 0.77 | MAPT (0.42) | PDK1MAPTALDH1A1CYP2C19 | |
| SCHEMBL234644 | 0.72 | TP53 (0.53) | TAS1R3TAS1R1MAPTALDH1A1 | |
| SCHEMBL6900183 | 0.72 | TP53 (0.53) | TAS1R3TAS1R1MAPTALDH1A1 | |
| SCHEMBL28405577 | 0.72 | TP53 (0.53) | TAS1R3TAS1R1MAPTALDH1A1 | |
| SCHEMBL13011542 | 0.72 | TP53 (0.53) | TAS1R3TAS1R1MAPTALDH1A1 | |
| SCHEMBL2595530 | 0.70 | MAPT (0.36) | PDK1TAS1R3TAS1R1MAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |