Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21290369 | 1.00 | TDO2 (0.42) | TDO2IDO1NPC1RXFP1MAPK14 | |
| SCHEMBL27157143 | 0.85 | LDHA (0.41) | NPC1ABL1RETAURKBLDHA | |
| SCHEMBL30819263 | 0.85 | LDHA (0.41) | NPC1ABL1RETAURKBLDHA | |
| SCHEMBL31735547 | 0.84 | GRM5 (0.39) | METPIM1LDHAGRM5CYP1A2 | |
| SCHEMBL25755553 | 0.83 | TDO2 (0.45) | TDO2IDO1NPC1RXFP1MAPK14 | |
| SCHEMBL18015262 | 0.82 | CYP1A2 (0.40) | NPC1LDHARAB9AALDH1A1KDM4E | |
| SCHEMBL15420845 | 0.81 | LDHA (0.57) | TDO2IDO1NPC1PDGFRBFLT3 | |
| SCHEMBL18015452 | 0.79 | LDHA (0.41) | TDO2IDO1NPC1MAPK14LDHA | |
| SCHEMBL25752509 | 0.78 | GAA (0.44) | GRM5ALDH1A1KDM4EL3MBTL1GAA | |
| SCHEMBL25752504 | 0.78 | KMO (0.43) | NPC1ALDH1A1L3MBTL1 |
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-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |