Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595354 | 1.00 | PDK1 (0.42) | PDK1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL2589839 | 0.87 | MAPT (0.42) | PDK1ALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL2589836 | 0.87 | MAPT (0.42) | PDK1ALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL2595965 | 0.86 | PDK1 (0.41) | PDK1ALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL2595963 | 0.86 | PDK1 (0.41) | PDK1ALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL2593284 | 0.80 | NPC1 (0.42) | PDK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2593287 | 0.80 | NPC1 (0.42) | PDK1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12887549 | 0.78 | NOS1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2589672 | 0.76 | MAPT (0.42) | PDK1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL2589678 | 0.76 | MAPT (0.42) | PDK1ALDH1A1MAPTNPC1RAB9A |
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 |