Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5245688 | 0.93 | BRD4 (0.41) | NPC1RAB9ASMN1; SMN2NAMPTSCN9A | |
| Trifluoroacetic Acid SCHEMBL5247737 | 0.93 | GLS (0.42) | NPC1RAB9ASMN1; SMN2NAMPTSCN9A | |
| SCHEMBL5245844 | 0.90 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2NAMPTSCN9A | |
| Trifluoroacetic Acid SCHEMBL5248782 | 0.90 | SCN9A (0.38) | SCN9ADRD2DRD3 | |
| SCHEMBL5245310 | 0.86 | DRD2 (0.38) | DRD2DRD3RIPK1 | |
| SCHEMBL5246240 | 0.86 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2NAMPTSCN9A | |
| Trifluoroacetic Acid SCHEMBL5244499 | 0.86 | BRD4 (0.42) | NPC1RAB9ANAMPTBRD4ALDH1A1 | |
| SCHEMBL3104911 | 0.86 | S1PR1 (0.41) | DRD2DRD3 | |
| SCHEMBL5246041 | 0.84 | MIF (0.45) | DRD2DRD3ALDH1A1GLS | |
| SCHEMBL3102931 | 0.84 | TP53 (0.39) | NPC1RAB9ASMN1; SMN2DRD2DRD3 |
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-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |