Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL22867344 | 0.78 | CNR2 (0.44) | S1PR1S1PR3SLC6A4GRIN1GRIN2A | |
| SCHEMBL4823096 | 0.74 | CNR2 (0.47) | S1PR1S1PR3 | |
| SCHEMBL10473506 | 0.71 | HSD11B1 (0.53) | S1PR1S1PR3ALDH1A1NPC1CYP3A4 | |
| SCHEMBL14315605 | 0.67 | CNR2 (0.52) | — | |
| SCHEMBL29617031 | 0.66 | ALDH1A1 (0.39) | ALDH1A1NPC1SLC6A4SLC6A3GRIN1 | |
| SCHEMBL29617028 | 0.66 | ALDH1A1 (0.39) | ALDH1A1NPC1SLC6A4SLC6A3GRIN1 | |
| SCHEMBL8358015 | 0.66 | SLC6A3 (0.34) | SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL19156512 | 0.65 | — | — | |
| SCHEMBL4800365 | 0.65 | SLC6A4 (0.49) | S1PR1S1PR3ALDH1A1SLC6A4SLC6A3 | |
| SCHEMBL22867751 | 0.65 | NPC1 (0.36) | S1PR1S1PR3ALDH1A1NPC1SLC6A4 |
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-3760614-A1 | CHEMICAL INHIBITORS OF ID PROTEINS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | Universität Heidelberg (DE) | 2021-01-06 | — | — | EP | disclosed |