Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6240896 | 0.89 | KDM4E (0.57) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6242771 | 0.88 | KDM4E (0.60) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6244892 | 0.86 | KDM4E (0.55) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6242475 | 0.86 | KDM4E (0.70) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568632 | 0.85 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6242776 | 0.85 | KDM4E (0.60) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5563867 | 0.84 | KDM4E (0.54) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5563916 | 0.82 | KDM4E (0.74) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5569107 | 0.77 | KDM4E (0.65) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5568600 | 0.73 | ALDH1A1 (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 |