Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.37 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 3/20 | 0.37 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL16610943 | 0.85 | CYP2A13 (0.42) | ALOX5CHEK1NTRK1ALDH1A1HRH3 | |
| SCHEMBL16611076 | 0.74 | CYP2A13 (0.39) | CHEK1NTRK1ALDH1A1NPSR1WDR5 | |
| SCHEMBL16611262 | 0.74 | MAP2K4 (0.41) | — | |
| SCHEMBL16611740 | 0.74 | LTA4H (0.37) | ALDH1A1LTA4H | |
| SCHEMBL16611103 | 0.73 | KDM4E (0.43) | NTRK1ALDH1A1CNR2TNKS | |
| Hydrochloric Acid SCHEMBL16611325 | 0.72 | KDM4E (0.43) | NTRK1ALDH1A1CNR2TNKS | |
| SCHEMBL16611193 | 0.70 | PDGFRB (0.42) | NTRK1ALDH1A1CNR2TNKS | |
| SCHEMBL16610669 | 0.69 | CNR2 (0.48) | NTRK1TDO2CNR2 | |
| SCHEMBL16611417 | 0.68 | PDE3B (0.42) | ALDH1A1 | |
| SCHEMBL16611172 | 0.67 | SCN9A (0.35) | ALDH1A1TDO2 |
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-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |