Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 15/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13513650 | 0.84 | KDR (0.66) | KDRGSTO1 | |
| SCHEMBL3459364 | 0.80 | HSD17B1 (0.54) | KDRHSD17B1HSD17B2HDAC1HDAC6 | |
| SCHEMBL6180047 | 0.79 | KDR (0.77) | KDR | |
| SCHEMBL10079021 | 0.79 | KDR (0.53) | KDRHSD17B1HSD17B2HDAC1HDAC6 | |
| SCHEMBL9954813 | 0.77 | ALDH1A1 (0.54) | KDRHSD17B1HSD17B2HDAC1HDAC6 | |
| SCHEMBL12909537 | 0.77 | KDR (0.59) | KDRHDAC1HDAC6 | |
| SCHEMBL9954919 | 0.77 | HSD17B1 (0.51) | KDRHSD17B1HSD17B2HDAC1HDAC6 | |
| SCHEMBL25890706 | 0.76 | AR (0.54) | KDR | |
| SCHEMBL11965515 | 0.75 | HSD17B1 (0.50) | KDRHSD17B1HSD17B2HDAC1HDAC6 | |
| SCHEMBL18122016 | 0.75 | HSD17B1 (0.57) | KDRHSD17B1HSD17B2HDAC6 |
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-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |