Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL2595504 | 0.85 | PDK1 (0.38) | PDK1MAPTPKMALDH1A1TAS1R3 | |
| SCHEMBL2595965 | 0.77 | PDK1 (0.41) | PDK1MAPTALDH1A1GAATSHR | |
| SCHEMBL2595963 | 0.77 | PDK1 (0.41) | PDK1MAPTALDH1A1GAATSHR | |
| SCHEMBL2593221 | 0.76 | ALDH1A1 (0.43) | PDK1MAPTPKMALDH1A1TAS1R3 | |
| SCHEMBL13011542 | 0.71 | TP53 (0.53) | MAPTALDH1A1KMT2ATAS1R3TAS1R1 | |
| SCHEMBL234644 | 0.71 | TP53 (0.53) | MAPTALDH1A1KMT2ATAS1R3TAS1R1 | |
| SCHEMBL6900183 | 0.71 | TP53 (0.53) | MAPTALDH1A1KMT2ATAS1R3TAS1R1 | |
| SCHEMBL28405577 | 0.71 | TP53 (0.53) | MAPTALDH1A1KMT2ATAS1R3TAS1R1 | |
| SCHEMBL17008210 | 0.70 | MAPT (0.40) | MAPTPKMALDH1A1TSHRKMT2A | |
| SCHEMBL2595530 | 0.69 | MAPT (0.36) | PDK1MAPTPKMALDH1A1TAS1R3 |
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 |