Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | METAP1 | P53582 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8873406 | 1.00 | ACHE (0.37) | ACHEMETAP1CYP2C9KCNH2 | |
| SCHEMBL8595469 | 0.83 | ACHE (0.38) | ACHEMETAP1CYP2C9KCNH2 | |
| SCHEMBL8595473 | 0.83 | ACHE (0.38) | ACHEMETAP1CYP2C9KCNH2 | |
| SCHEMBL8874743 | 0.83 | ACHE (0.38) | ACHEMETAP1CYP2C9KCNH2 | |
| SCHEMBL8873213 | 0.81 | METAP1 (0.43) | ACHEMETAP1 | |
| SCHEMBL8598434 | 0.81 | METAP1 (0.43) | ACHEMETAP1 | |
| SCHEMBL8873958 | 0.81 | ACHE (0.55) | ACHEMETAP1 | |
| SCHEMBL8873012 | 0.81 | DRD3 (0.49) | ACHEMETAP1 | |
| SCHEMBL8599815 | 0.81 | DRD3 (0.49) | ACHEMETAP1 | |
| SCHEMBL8594761 | 0.81 | ACHE (0.55) | ACHEMETAP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0657426-B1 | Tricyclic pyrrole derivatives | HOFFMANN LA ROCHE (CH) | 1998-07-22 | — | — | EP | disclosed |
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0657426-A2 | Tricyclic pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-14 | — | — | EP | disclosed |