Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26746667 | 0.93 | NPC1 (0.52) | NPC1GAAMAPK1RAB9AHDAC6 | |
| SCHEMBL14983782 | 0.91 | NPC1 (0.50) | NPC1GAAMAPK1RAB9AHDAC6 | |
| SCHEMBL27924408 | 0.89 | NPC1 (0.47) | NPC1GAAMAPK1RAB9AHDAC6 | |
| SCHEMBL5946876 | 0.82 | RAB9A (0.43) | NPC1GAAMAPK1RAB9AALDH1A1 | |
| SCHEMBL2092852 | 0.82 | HDAC6 (0.42) | NPC1GAAMAPK1RAB9AHDAC6 | |
| SCHEMBL9155744 | 0.81 | ALOX15 (0.59) | RAB9AALDH1A1TLR8TLR7KDM4E | |
| SCHEMBL27899642 | 0.81 | ALOX15 (0.59) | RAB9AALDH1A1TLR8TLR7KDM4E | |
| SCHEMBL14881175 | 0.81 | ALDH1A1 (0.41) | NPC1GAAMAPK1RAB9AALDH1A1 | |
| SCHEMBL11596488 | 0.81 | ALOX15 (0.59) | RAB9AALDH1A1TLR8TLR7KDM4E | |
| SCHEMBL27899648 | 0.81 | ALOX15 (0.59) | RAB9AALDH1A1TLR8TLR7KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017157782-A1 | ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2017-09-21 | — | — | WO | disclosed |