Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 7/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.33 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3114145 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL5249047 | 0.81 | LMNA (0.38) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL5246028 | 0.81 | CYP1A2 (0.34) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3112551 | 0.80 | XDH (0.45) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL5247403 | 0.80 | LMNA (0.39) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL5246020 | 0.79 | L3MBTL1 (0.37) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| Hydrochloric Acid SCHEMBL3117772 | 0.79 | RAB9A (0.41) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL5244456 | 0.79 | LMNA (0.57) | ALDH1A1L3MBTL1LMNASMN1; SMN2MIF | |
| SCHEMBL3112834 | 0.78 | HPGD (0.43) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3113746 | 0.78 | RIPK1 (0.41) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD |
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 |