Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18308477 | 0.83 | ALDH1A1 (0.44) | ERBB2ALDH1A1HTTHSD17B10MAPT | |
| SCHEMBL18308533 | 0.70 | GRIN1 (0.37) | ALDH1A1 | |
| SCHEMBL18308376 | 0.69 | GRIN1 (0.36) | ALDH1A1 | |
| SCHEMBL18308424 | 0.68 | CYP1A2 (0.47) | ALDH1A1HSD17B10MAPTNPSR1 | |
| SCHEMBL18308427 | 0.66 | CYP1A2 (0.39) | CSF1RALDH1A1HSD17B10MET | |
| SCHEMBL18308398 | 0.66 | NUAK1 (0.40) | ALDH1A1HSD17B10MAPTNPSR1PDGFRB | |
| SCHEMBL18308397 | 0.64 | ALOX5AP (0.39) | ALDH1A1 | |
| SCHEMBL24614177 | 0.64 | ENPP1 (0.48) | ERBB2ALDH1A1 | |
| SCHEMBL23745144 | 0.64 | DPP4 (0.46) | ALDH1A1MAPTNPSR1PDGFRB | |
| SCHEMBL24614185 | 0.62 | ENPP1 (0.41) | ERBB2ALDH1A1NPSR1PDGFRB |
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 |