Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22718643 | 0.80 | PDK1 (0.39) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| SCHEMBL22746961 | 0.76 | HSD17B10 (0.38) | SMN1; SMN2HSD17B10AURKAMAPK10RIPK1 | |
| SCHEMBL22746962 | 0.74 | AURKA (0.40) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| SCHEMBL28686135 | 0.74 | AURKA (0.40) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| SCHEMBL19140474 | 0.74 | KDM4E (0.45) | HSD17B10AURKAMAPK10RIPK1PDE4D | |
| SCHEMBL22718128 | 0.73 | HSD17B10 (0.37) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| Hydrochloric Acid SCHEMBL29071888 | 0.73 | AURKA (0.40) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| Hydrochloric Acid SCHEMBL29071885 | 0.73 | AURKA (0.40) | SMN1; SMN2NPC1RAB9AHSD17B10AURKA | |
| SCHEMBL30092714 | 0.73 | AURKA (0.40) | HSD17B10AURKAMAPK10RIPK1PDE4D | |
| SCHEMBL23567652 | 0.70 | AURKA (0.38) | SMN1; SMN2HSD17B10AURKAMAPK10RIPK1 |
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-3976620-A1 | FUSED HETEROCYCLIC DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-04-06 | — | — | EP | disclosed |