Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 7/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.32 |
| ▸ | RHOC | P08134 | 1/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5568600 | 0.87 | ALDH1A1 (0.42) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568632 | 0.87 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5563132 | 0.86 | KDM4E (0.35) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6242182 | 0.86 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5569571 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6244677 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6240896 | 0.75 | KDM4E (0.57) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5568322 | 0.74 | AADAT (0.37) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568891 | 0.74 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7652849 | 0.74 | KDM4E (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1042288-B1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INST NAT SANTE RECH MED (FR) | 2007-11-07 | — | — | EP | claimed |