Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 9/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 9/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4821434 | 0.89 | CNR1 (0.43) | GABBR2GABBR1CNR1CNR2 | |
| SCHEMBL4817636 | 0.87 | GABBR2 (0.39) | GABBR2GABBR1ADORA3ADORA2AADORA1 | |
| SCHEMBL7495679 | 0.86 | GABBR2 (0.39) | GABBR2GABBR1ADORA3ADORA2AADORA1 | |
| SCHEMBL6186174 | 0.83 | PDGFRB (0.38) | GABBR2GABBR1PDGFRBPDGFRA | |
| SCHEMBL7958606 | 0.82 | EGLN2 (0.39) | — | |
| SCHEMBL4819294 | 0.81 | ALDH1A1 (0.43) | GABBR2GABBR1PDGFRBPDGFRA | |
| SCHEMBL6410703 | 0.80 | PDGFRB (0.36) | GABBR2GABBR1PDGFRBPDGFRA | |
| SCHEMBL7958939 | 0.80 | CDK2 (0.38) | CNR1 | |
| SCHEMBL6863776 | 0.79 | GABBR2 (0.37) | GABBR2GABBR1CNR1CNR2 | |
| SCHEMBL4821115 | 0.77 | GABBR2 (0.34) | GABBR2GABBR1CNR1CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242451-B1 | Fungicidal trihalophenyl-triazolopyrimidines | BASF AKTIENGESELLSCHAFT | 2001-06-05 | — | — | US | claimed |
| US-5985883-A | FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE | AMERICAN CYANAMID COMPANY (US) | 1999-11-16 | — | — | US | claimed |
| US-6242451-B1 | Fungicidal trihalophenyl-triazolopyrimidines | BASF AKTIENGESELLSCHAFT | 2001-06-05 | — | — | US | disclosed |
| US-5985883-A | FUNGICIDAL ACTIVITY AGAINST RICE BLAST DISEASE | AMERICAN CYANAMID COMPANY (US) | 1999-11-16 | — | — | US | disclosed |