Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 5/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 2/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL24204704 | 1.00 | KDM5B (0.42) | KDM5BCYP19A1CYP11B1CYP11B2MAPT | |
| SCHEMBL24345996 | 0.93 | KDM5B (0.39) | KDM5BCYP19A1CYP11B1CYP11B2MAPT | |
| SCHEMBL30390005 | 0.89 | NEK2 (0.45) | TDO2IDO1PDGFRBHTTNPC1 | |
| SCHEMBL24204669 | 0.89 | NEK2 (0.45) | TDO2IDO1PDGFRBHTTNPC1 | |
| SCHEMBL26874132 | 0.89 | CYP2A6 (0.40) | TDO2IDO1NPC1RAB9ANEK2 | |
| SCHEMBL24204822 | 0.80 | NPC1 (0.43) | MAPTTDO2IDO1PDGFRBNPC1 | |
| SCHEMBL29493153 | 0.80 | CFTR (0.43) | CYP3A4TTK | |
| SCHEMBL24204628 | 0.80 | CFTR (0.43) | CYP3A4TTK | |
| SCHEMBL30389877 | 0.79 | NPC1 (0.59) | MAPTTDO2IDO1PDGFRBNPC1 | |
| SCHEMBL24204600 | 0.79 | NPC1 (0.59) | MAPTTDO2IDO1PDGFRBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4185566-A1 | ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AHR IMBALANCE | Dermavant Sciences GmbH (CH) | 2023-05-31 | — | — | EP | disclosed |