Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22754845 | 0.85 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL22754927 | 0.85 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL22755113 | 0.83 | ADORA2A (0.48) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL22754994 | 0.79 | CD38 (0.46) | EPHX2 | |
| SCHEMBL16610381 | 0.75 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL22755311 | 0.71 | MAPK14 (0.39) | ADORA2AALDH1A1KMT2ABACE1MAPK14 | |
| SCHEMBL16610115 | 0.70 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL22755082 | 0.70 | ADORA2A (0.38) | NPC1RAB9AADORA2AALDH1A1KMT2A | |
| SCHEMBL22755259 | 0.68 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2ADORA2AALDH1A1 | |
| SCHEMBL3455501 | 0.67 | RAB9A (0.72) | NPC1RAB9ASMN1; SMN2ALDH1A1HTT |
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-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |