Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 7/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 0.31 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18308508 | 0.92 | KIT (0.38) | KITPRKDCPLK1MET | |
| SCHEMBL18308329 | 0.86 | PLK1 (0.36) | PRKDCIDH1PLK1MET | |
| SCHEMBL18308371 | 0.83 | MAP2K1 (0.35) | KITPRKDCIDH1MAP2K1 | |
| SCHEMBL18308342 | 0.82 | PDE2A (0.36) | ALDH1A1GAASMN1; SMN2PLK1MET | |
| SCHEMBL18308511 | 0.82 | MRGPRX4 (0.40) | NPSR1SMN1; SMN2 | |
| SCHEMBL18308550 | 0.82 | HPGDS (0.31) | — | |
| SCHEMBL18308506 | 0.80 | ALDH1A1 (0.37) | NPSR1ALDH1A1SMN1; SMN2POLBPLK1 | |
| SCHEMBL18308352 | 0.78 | EGFR (0.42) | KITPDE4BMAP2K1 | |
| SCHEMBL18308388 | 0.78 | CASP3 (0.35) | ALDH1A1GAASMN1; SMN2TSHRPDE4A | |
| SCHEMBL18308373 | 0.71 | CSF1R (0.37) | KITIDH1 |
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-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |