Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL327688 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL324412 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL15167746 | 0.72 | SIGMAR1 (0.42) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL15169648 | 0.72 | LMNA (0.36) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL15167749 | 0.72 | SIGMAR1 (0.42) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL324009 | 0.72 | CYP1A2 (0.70) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL25245135 | 0.70 | LMNA (0.44) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL324352 | 0.70 | ALDH1A1 (0.64) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL15179403 | 0.70 | ALDH1A1 (0.56) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL15168454 | 0.70 | ALDH1A1 (0.60) | CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012004604-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2012-01-12 | — | — | WO | disclosed |