Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | ACE | P12821 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5564103 | 0.88 | KDM4E (0.68) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5564100 | 0.88 | KDM4E (0.68) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11048599 | 0.81 | ACE (0.70) | ACE | |
| SCHEMBL11048592 | 0.81 | ACE (0.70) | ACE | |
| SCHEMBL3725197 | 0.79 | ACE (0.67) | ACE | |
| SCHEMBL9543550 | 0.79 | ACE (0.52) | ACE | |
| SCHEMBL9543558 | 0.79 | ACE (0.52) | ACE | |
| SCHEMBL29440105 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568508 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6244780 | 0.77 | KDM4E (1.00) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5948886-A | ELASTASE INHIBITORS OR PRODRUGS; FOR TREATMENT OF EMPHYSEMA, CYSTIC FIBROSIS, ADULT RESPIRATORY DISTRESS SYNDROME, GOUT, DISSEMINATED INTRAVASCULAR COAGULATION, RHEUMATOID ARTHRITIS, CHRONIC BRONCHITIS, INFLAMMATORY BOWEL DISEASE, SEPTICEMIA | HOECHST MARION ROUSSEL, INC. (US) | 1999-09-07 | — | — | US | disclosed |