Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGAV | P06756 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 SCHEMBL5249479 | 0.88 | GAA (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL5247650 | 0.87 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5248059 | 0.86 | LMNA (0.46) | NPC1RAB9AALDH1A1HPGDTP53 | |
| SCHEMBL3112834 | 0.82 | HPGD (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5247370 | 0.81 | LMNA (0.48) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5247363 | 0.80 | LMNA (0.47) | SMN1; SMN2ALDH1A1HPGDTP53KMT2A | |
| SCHEMBL5244694 | 0.79 | HPGD (0.48) | RAB9ASMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL5245992 | 0.79 | SMN1; SMN2 (0.52) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5244195 | 0.79 | SCN9A (0.36) | NPC1RAB9ASMN1; SMN2ITGB3ITGAV | |
| SCHEMBL5246149 | 0.78 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 |
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 |