Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10868803 | 0.99 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL10868679 | 0.97 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL10411396 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19PARP1PARP2 | |
| SCHEMBL10868705 | 0.90 | — | — | |
| SCHEMBL10868812 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL10868689 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL10411398 | 0.86 | — | — | |
| SCHEMBL10869108 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL10411549 | 0.77 | — | — | |
| SCHEMBL10868100 | 0.77 | KDM4E (0.46) | ALDH1A1 |
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-0178413-A1 | Benzimidazoles | BEECHAM GROUP PLC (GB) | 1986-04-23 | — | — | EP | claimed |