Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL580071 | 0.84 | HTT (0.52) | HTTPOLBALDH1A1MAPTNOS3 | |
| SCHEMBL28189886 | 0.81 | HTT (0.50) | HTTPOLBALDH1A1MAPTNOS3 | |
| Bromide SCHEMBL28270726 | 0.81 | HTT (0.50) | HTTPOLBALDH1A1MAPTNOS3 | |
| Hydrochloric Acid SCHEMBL2495588 | 0.81 | HTT (0.50) | HTTPOLBALDH1A1MAPTNOS3 | |
| SCHEMBL11140303 | 0.80 | HTT (0.41) | HTTPOLBALDH1A1MAPTNOS3 | |
| Nitrogen SCHEMBL28320966 | 0.79 | HTT (0.48) | HTTPOLBALDH1A1MAPTNOS3 | |
| SCHEMBL12686345 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTNOS3NOS2KDM4E | |
| SCHEMBL2038792 | 0.77 | ALDH1A1 (0.52) | HTTPOLBALDH1A1MAPTNOS3 | |
| SCHEMBL12700587 | 0.77 | HDAC1 (0.38) | HTTALDH1A1NOS3NOS2HDAC1 | |
| SCHEMBL11139099 | 0.77 | HTT (0.38) | HTTPOLBALDH1A1MAPTNOS3 |
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-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |