Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL8066558 | 1.00 | CHEK1 (0.35) | CHEK1TRPV3CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7075461 | 0.80 | PNP (0.39) | TRPV3 | |
| SCHEMBL7070778 | 0.80 | PNP (0.39) | TRPV3 | |
| SCHEMBL7072329 | 0.80 | PNP (0.39) | TRPV3 | |
| SCHEMBL7071084 | 0.80 | PNP (0.39) | TRPV3 | |
| SCHEMBL8060304 | 0.79 | — | — | |
| SCHEMBL8060413 | 0.79 | — | — | |
| SCHEMBL8060327 | 0.75 | — | — | |
| SCHEMBL8049931 | 0.75 | — | — | |
| SCHEMBL19091186 | 0.74 | CYP1A2 (0.37) | CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1001942-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | claimed |
| WO-1999003841-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | claimed |
| EP-1001942-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999003841-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | disclosed |