Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | BCL6 | P41182 | 2/20 | 0.33 |
| ▸ | BCOR | Q6W2J9 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899995 | 0.90 | TXNRD1 (0.34) | MAPTTXNRD1PKMCYP1A2CYP2C9 | |
| SCHEMBL2554448 | 0.89 | GPR35 (0.33) | MAPTTXNRD1CYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL22572956 | 0.86 | ALDH1A1 (0.34) | MAPTTXNRD1ALDH1A1LMNAGAA | |
| SCHEMBL22572955 | 0.84 | MAPT (0.33) | MAPTTXNRD1PKM | |
| SCHEMBL22090173 | 0.81 | TXNRD1 (0.36) | MAPTTXNRD1ALDH1A1GAA | |
| SCHEMBL22089936 | 0.79 | JAK2 (0.34) | TXNRD1ALDH1A1LMNA | |
| SCHEMBL3786184 | 0.77 | DAO (0.33) | DAOCFTR | |
| SCHEMBL23012286 | 0.75 | DAO (0.33) | DAO | |
| SCHEMBL15556927 | 0.75 | OPRL1 (0.33) | DAO | |
| SCHEMBL1559055 | 0.75 | IRAK4 (0.33) | DAO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2638031-A1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012062783-A1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-18 | — | — | WO | disclosed |