Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | KDM1A | O60341 | 6/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8433761 | 1.00 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8433763 | 1.00 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8433759 | 1.00 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL9285746 | 0.88 | CYP11B1 (0.33) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL9285753 | 0.88 | CYP11B1 (0.33) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL9285759 | 0.88 | CYP11B1 (0.33) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8432880 | 0.86 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8432885 | 0.86 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8432883 | 0.86 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN | |
| SCHEMBL8432875 | 0.86 | CYP11B1 (0.34) | CYP11B1CYP11B2KDM1ATRPV4FASN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559859-B1 | FLUOROBENZONITRILES AND LIQUID CRYSTALLINE MIXTURES CONTAINING THEM | MERCK PATENT GMBH (DE) | 1999-12-08 | — | — | EP | disclosed |
| US-5447658-A | Tricyclic fluorobenzonitrile derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-09-05 | — | — | US | disclosed |