Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2823747 | 0.97 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Iodide SCHEMBL2215328 | 0.97 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Bromide SCHEMBL581793 | 0.97 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL16105820 | 0.80 | DAO (0.55) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3299911 | 0.80 | CYP17A1 (0.52) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6203927 | 0.78 | HTT (0.47) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL8951123 | 0.77 | DAO (0.44) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL17552652 | 0.76 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL126440 | 0.76 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL126441 | 0.76 | TRPA1 (0.46) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008344-A | Bruton's tyrosine kinase inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |