Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.54 |
| ▸ | METAP1 | P53582 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8595669 | 1.00 | ACHE (0.54) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8874770 | 1.00 | ACHE (0.54) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8598439 | 0.85 | ACHE (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8873660 | 0.85 | ACHE (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8597615 | 0.84 | METAP1 (0.39) | ACHEMETAP1CYP19A1AADAT | |
| SCHEMBL8597617 | 0.84 | METAP1 (0.39) | ACHEMETAP1CYP19A1AADAT | |
| SCHEMBL8873801 | 0.84 | METAP1 (0.39) | ACHEMETAP1CYP19A1AADAT | |
| SCHEMBL4743450 | 0.84 | ACHE (0.55) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8595332 | 0.83 | CYP19A1 (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C | |
| SCHEMBL8595334 | 0.83 | CYP19A1 (0.57) | ACHEMETAP1CYP19A1HTR2AHTR2C |
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 |