Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18308401 | 0.83 | CSF1R (0.33) | ALDH1A1HTTHSD17B10ERBB2MAPT | |
| SCHEMBL18308376 | 0.74 | GRIN1 (0.36) | ALDH1A1EGFRERBB4LMNAMAPK1 | |
| SCHEMBL18308533 | 0.73 | GRIN1 (0.37) | ALDH1A1EGFRERBB4LMNAMAPK1 | |
| SCHEMBL18308424 | 0.70 | CYP1A2 (0.47) | ALDH1A1HSD17B10MAPTNPSR1LMNA | |
| SCHEMBL24614177 | 0.69 | ENPP1 (0.48) | ALDH1A1ERBB2EGFRPOLBENPP1 | |
| SCHEMBL29685139 | 0.67 | LMNA (0.41) | ALDH1A1ERBB2MAPTNPSR1EGFR | |
| SCHEMBL29685884 | 0.66 | RECQL (0.43) | ALDH1A1ERBB2EGFRLMNARECQL | |
| SCHEMBL24614185 | 0.66 | ENPP1 (0.41) | ALDH1A1ERBB2NPSR1POLBENPP1 | |
| SCHEMBL18308526 | 0.66 | SLC16A3 (0.35) | ALDH1A1ERBB2EGFRPOLBBRD4 | |
| SCHEMBL18308355 | 0.66 | BRD4 (0.57) | BRD4CYP3A4CYP2C9BRD2BRD3 |
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 |