Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LPAR3 | Q9UBY5 | 7/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6273020 | 1.00 | CYP3A4 (0.59) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL6273276 | 0.97 | CYP3A4 (0.62) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL6271165 | 0.92 | CYP3A4 (0.62) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL15215970 | 0.87 | TSHR (0.62) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL5603993 | 0.84 | CYP3A4 (0.58) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL5603756 | 0.84 | CYP3A4 (0.58) | CYP3A4ALDH1A1LPAR3LPAR2LPAR1 | |
| SCHEMBL21440331 | 0.81 | CYP3A4 (0.80) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL258318 | 0.81 | CYP3A4 (0.80) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL21439847 | 0.81 | CYP3A4 (0.80) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL22230793 | 0.81 | CYP3A4 (0.80) | CYP3A4LPAR3LPAR2LPAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5837211-A | SYNERGISTICALLY DEFOAMING WITH A MIXTURE COMPRISING A TRIALKOXYALKYL PHOSPHATE AND A HYDROXY CONTAINING CARRIER | CYTEC TECHNOLOGY CORP. (US) | 1998-11-17 | — | — | US | disclosed |