Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8951118 | 0.98 | DAO (0.43) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL7974386 | 0.86 | DAO (0.42) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL16105820 | 0.85 | DAO (0.55) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL23850015 | 0.82 | TAAR1 (0.47) | DAOHTTALDH1A1TAAR1PNMT | |
| SCHEMBL29042669 | 0.82 | PNMT (0.47) | ALDH1A1TAAR1PNMT | |
| SCHEMBL1503157 | 0.80 | HTT (0.45) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL29489387 | 0.80 | HTT (0.45) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL3246622 | 0.78 | DAO (0.46) | DAOHTTALDH1A1CYP17A1CYP11B1 | |
| SCHEMBL631580 | 0.78 | TAAR1 (0.58) | DAOALDH1A1TAAR1PNMTMAOB | |
| Hydrochloric Acid SCHEMBL1585557 | 0.76 | TAAR1 (0.56) | ALDH1A1TAAR1PNMTMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107686447-A | A kind of preparation method of ticagrelor intermediate | 许昌恒生制药有限公司 | 2018-02-13 | — | — | CN | claimed |
| CN-107686447-A | A kind of preparation method of ticagrelor intermediate | 许昌恒生制药有限公司 | 2018-02-13 | — | — | CN | disclosed |