Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL2595530 | 0.87 | MAPT (0.36) | MAPTPKMTAS1R3TAS1R1CPT2 | |
| SCHEMBL2589716 | 0.82 | BMP1 (0.37) | HCRTR1HCRTR2MAPTPKMTAS1R3 | |
| SCHEMBL12159874 | 0.76 | ALDH1A1 (0.41) | HCRTR1HCRTR2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL13011542 | 0.70 | TP53 (0.53) | MAPTTAS1R3TAS1R1ALDH1A1TP53 | |
| SCHEMBL6900183 | 0.70 | TP53 (0.53) | MAPTTAS1R3TAS1R1ALDH1A1TP53 | |
| SCHEMBL28405577 | 0.70 | TP53 (0.53) | MAPTTAS1R3TAS1R1ALDH1A1TP53 | |
| SCHEMBL234644 | 0.70 | TP53 (0.53) | MAPTTAS1R3TAS1R1ALDH1A1TP53 | |
| SCHEMBL19193199 | 0.69 | POLB (0.44) | HCRTR1HCRTR2ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL2595504 | 0.68 | PDK1 (0.38) | MAPTPKMTAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL1169984 | 0.68 | TP53 (0.52) | MAPTTAS1R3TAS1R1ALDH1A1TP53 |
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 |