Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HTR4 | Q13639 | 8/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3963618 | 0.91 | CTSD (0.53) | CTSDGAAALDH1A1KDM4EHTR4 | |
| SCHEMBL9072065 | 0.88 | GAA (0.50) | CTSDGAAALDH1A1KDM4EHTR4 | |
| SCHEMBL7751850 | 0.88 | GAA (0.71) | GAAALDH1A1HTR4HTR3EHTR3B | |
| SCHEMBL2479746 | 0.88 | CTSD (0.57) | CTSDGAAALDH1A1KDM4ELMNA | |
| SCHEMBL23716794 | 0.87 | CTSD (0.63) | CTSDGAAALDH1A1KDM4ELMNA | |
| SCHEMBL28895552 | 0.85 | CTSD (0.61) | CTSDGAAALDH1A1KDM4ELMNA | |
| SCHEMBL3387533 | 0.81 | GAA (0.51) | CTSDGAAALDH1A1KDM4EHTR4 | |
| SCHEMBL7419408 | 0.79 | GAA (0.74) | GAAALDH1A1KDM4ELMNARAB9A | |
| SCHEMBL4345662 | 0.79 | KDM4E (0.62) | CTSDALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL16261149 | 0.79 | LMNA (0.72) | CTSDGAAALDH1A1KDM4ELMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |