Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.62 |
| ▸ | METAP1 | P53582 | 3/20 | 0.55 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.50 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.50 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598724 | 0.86 | METAP1 (0.69) | CYP19A1METAP1ACHE | |
| SCHEMBL8874562 | 0.86 | METAP1 (0.69) | CYP19A1METAP1ACHE | |
| Hydrochloric Acid SCHEMBL4623159 | 0.84 | METAP1 (0.78) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL7295884 | 0.83 | CYP19A1 (0.65) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL11011369 | 0.82 | METAP1 (0.76) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL7302984 | 0.82 | CYP19A1 (0.60) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL7513546 | 0.80 | ACHE (0.55) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL9430945 | 0.80 | CYP19A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| SCHEMBL11237837 | 0.80 | CYP19A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 | |
| Iodide SCHEMBL9133365 | 0.80 | CYP19A1 (0.61) | CYP19A1METAP1CYP24A1CYP27A1CYP26A1 |
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-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 |
| US-5292732-A | Pyrrolopyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |