Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24353648 | 1.00 | TSHR (0.48) | TSHRGAANOS2NPC1RAB9A | |
| SCHEMBL23748311 | 0.89 | GAA (0.51) | TSHRGAANOS2NPC1RAB9A | |
| SCHEMBL24353385 | 0.85 | MAPT (0.44) | TSHRGAAIDO1TDO2HPGD | |
| SCHEMBL23748137 | 0.85 | GAA (0.50) | TSHRGAANOS2NPC1RAB9A | |
| SCHEMBL23748169 | 0.84 | TSHR (0.43) | TSHRGAAHPGDMAPK1HSD17B10 | |
| SCHEMBL28612159 | 0.84 | TSHR (0.35) | TSHRGAAHPGDMAPK1HSD17B10 | |
| SCHEMBL24353647 | 0.82 | SLC6A4 (0.45) | TSHRGAANOS2NPC1IDO1 | |
| SCHEMBL23748248 | 0.82 | MAPT (0.38) | TSHRGAAHPGDMAPK1HSD17B10 | |
| SCHEMBL23748209 | 0.77 | GAA (0.53) | TSHRGAANOS2NPC1RAB9A | |
| SCHEMBL23748197 | 0.77 | MAPT (0.44) | TSHRGAAIDO1TDO2HPGD |
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-3864020-A1 | MACROCYCLIC FLU ENDONUCLEASE INHIBITORS | Janssen BioPharma, Inc. (US) | 2021-08-18 | — | — | EP | disclosed |