Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5182727 | 0.79 | TP53 (0.47) | TP53GPBAR1ALDH1A1MMP1MMP9 | |
| SCHEMBL5435818 | 0.78 | CNR1 (0.57) | TP53ALDH1A1KDM4EGAABRD4 | |
| SCHEMBL22504143 | 0.74 | MAPT (0.59) | TP53THRBDHODHALDH1A1MMP1 | |
| SCHEMBL8292502 | 0.72 | ALDH1A1 (0.47) | TP53DHODHALDH1A1KDM4EGAA | |
| SCHEMBL6649202 | 0.72 | KMT2A (0.49) | TP53GPBAR1ALDH1A1GAAMMP1 | |
| SCHEMBL6285277 | 0.71 | HPGD (0.56) | ALDH1A1KDM4EGAALMNAKMT2A | |
| SCHEMBL5448916 | 0.69 | MAPT (0.51) | TP53ALDH1A1KDM4EGAACYP1A2 | |
| Carbamic Acid SCHEMBL30096670 | 0.69 | KMT2A (0.58) | ALDH1A1KDM4EGAAL3MBTL1CYP1A2 | |
| SCHEMBL5183101 | 0.68 | MAPT (0.47) | TP53BRD4LMNAMAPTCNR1 | |
| SCHEMBL31538456 | 0.68 | KMT2A (0.53) | TP53ALDH1A1KDM4EGAACYP1A2 |
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-1799646-A1 | NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006030032-A1 | NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-23 | — | — | WO | disclosed |