Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL21900440 | 0.93 | TSHR (0.56) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL14536237 | 0.91 | TSHR (0.52) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL11083183 | 0.87 | TSHR (0.52) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL6050346 | 0.86 | TSHR (0.54) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| Water SCHEMBL9947734 | 0.84 | ALDH1A1 (0.65) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL20053307 | 0.83 | TSHR (0.62) | TSHRALDH1A1TDP1CYP3A4LMNA | |
| SCHEMBL17215260 | 0.82 | TSHR (0.42) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL3884493 | 0.82 | ALDH1A1 (0.68) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL8763250 | 0.81 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL18723237 | 0.81 | TSHR (0.59) | TSHRALDH1A1TDP1LMNAOPRM1 |
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-1735265-B1 | NITRILE HYDROGENATION ON HETEROGENEOUS CATALYSTS IN THE PRESENCE OF IONIC LIQUIDS | BASF SE (DE) | 2009-03-18 | — | — | EP | disclosed |
| EP-1735265-A1 | NITRILE HYDROGENATION ON HETEROGENEOUS CATALYSTS IN THE PRESENCE OF IONIC LIQUIDS | BASF AKTIENGESELLSCHAFT (DE) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005061429-A1 | NITRILE HYDROGENATION ON HETEROGENEOUS CATALYSTS IN THE PRESENCE OF IONIC LIQUIDS | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-07 | — | — | WO | disclosed |