Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9400010 | 0.96 | CYP3A4 (0.35) | CYP3A4CYP2C9BACE1CYP2D6CYP2C19 | |
| SCHEMBL9212202 | 0.91 | CYP3A4 (0.36) | CYP3A4CYP2C9BACE1CYP2D6CYP2C19 | |
| SCHEMBL9211298 | 0.81 | — | — | |
| SCHEMBL9400063 | 0.80 | GRM5 (0.31) | KCNH2 | |
| SCHEMBL9734723 | 0.80 | CYP3A4 (0.33) | CYP3A4CYP2C9BACE1CYP2D6CYP2C19 | |
| SCHEMBL9400049 | 0.80 | CYP3A4 (0.33) | CYP3A4CYP2C9BACE1CYP2D6CYP2C19 | |
| SCHEMBL9204052 | 0.79 | CYP2C9 (0.31) | CYP2C9 | |
| SCHEMBL9205063 | 0.79 | BACE1 (0.31) | BACE1 | |
| SCHEMBL9214921 | 0.77 | — | — | |
| SCHEMBL9205885 | 0.77 | CYP3A4 (0.34) | CYP3A4CYP2C9BACE1CYP2D6CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0216624-B1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-02-22 | — | — | EP | claimed |
| EP-0216624-A2 | Pesticidal compounds | ROUSSEL-UCLAF (FR) | 1987-04-01 | — | — | EP | claimed |
| US-5371075-A | Pesticides | ROUSSEL-UCLAF (FR) | 1994-12-06 | — | — | US | disclosed |
| US-5157029-A | Insecticides, miticides | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-10-20 | — | — | US | disclosed |
| US-5057508-A | Bicyclo(2-2-1)octanes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1991-10-15 | — | — | US | disclosed |
| US-4965257-A | INSECTICIDES, ACARICIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0216624-A2 | Pesticidal compounds | ROUSSEL-UCLAF (FR) | 1987-04-01 | — | — | EP | disclosed |