Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8602325 | 0.84 | MEN1 (0.32) | HDAC1HDAC8NPC1RAB9A | |
| SCHEMBL8598998 | 0.83 | HDAC1 (0.34) | HDAC1HDAC8AKR1C3AKR1C2GRIK1 | |
| SCHEMBL8601477 | 0.81 | AKR1C3 (0.31) | AKR1C3AKR1C2 | |
| SCHEMBL8603644 | 0.81 | PTAFR (0.39) | HDAC1AKR1C3AKR1C2 | |
| SCHEMBL7557372 | 0.80 | PTGS2 (0.33) | HDAC1HDAC8 | |
| SCHEMBL7557378 | 0.80 | PTGS2 (0.33) | HDAC1HDAC8 | |
| SCHEMBL8602425 | 0.79 | PTAFR (0.35) | HDAC1HDAC8AKR1C3AKR1C2 | |
| SCHEMBL8671741 | 0.79 | HDAC1 (0.31) | HDAC1HDAC8 | |
| SCHEMBL8600497 | 0.79 | HDAC1 (0.31) | HDAC1HDAC8 | |
| SCHEMBL8601962 | 0.78 | — | — |
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-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |