Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563081 | 1.00 | KDM4E (0.39) | KDM4ECYP2C19DRD2HTR1ADRD4 | |
| SCHEMBL7621523 | 0.80 | CRBN (0.53) | KDM4ECRBNALDH1A1 | |
| SCHEMBL7621521 | 0.80 | CRBN (0.53) | KDM4ECRBNALDH1A1 | |
| SCHEMBL7621516 | 0.80 | CRBN (0.53) | KDM4ECRBNALDH1A1 | |
| SCHEMBL8560932 | 0.76 | GAA (0.37) | CYP2C19ALDH1A1 | |
| SCHEMBL7614141 | 0.73 | USP2 (0.44) | KDM4EDRD2ALDH1A1 | |
| SCHEMBL7614145 | 0.73 | USP2 (0.44) | KDM4EDRD2ALDH1A1 | |
| SCHEMBL7624260 | 0.73 | TDP1 (0.51) | KDM4ECYP2C19ALDH1A1 | |
| SCHEMBL7620756 | 0.73 | KDM4E (0.40) | KDM4E | |
| SCHEMBL7624265 | 0.73 | TDP1 (0.51) | KDM4ECYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |