Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | SDHB | P21912 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659116 | 0.89 | GRM2 (0.36) | SIGMAR1NOTUMCYP11B1CYP11B2 | |
| SCHEMBL4659143 | 0.87 | PTGS1 (0.38) | KDM4ESDHBMAPTNOTUMALDH1A1 | |
| SCHEMBL4657825 | 0.87 | CYP11B2 (0.43) | KDM4ECYP11B1CYP11B2 | |
| SCHEMBL4659144 | 0.86 | SDHB (0.36) | KDM4ESDHBSIGMAR1NOTUMALDH1A1 | |
| SCHEMBL4658083 | 0.83 | KDM4E (0.45) | KDM4ESDHBMAPTALDH1A1HSD17B10 | |
| SCHEMBL4657826 | 0.82 | CTSS (0.41) | KDM4EMAPTALDH1A1HSD17B10USP2 | |
| SCHEMBL4660347 | 0.82 | KDM4E (0.36) | KDM4EMAPTALDH1A1HSD17B10USP2 | |
| SCHEMBL4659010 | 0.81 | KDM4E (0.53) | KDM4EMAPTALDH1A1HSD17B10HPGD | |
| SCHEMBL4657960 | 0.81 | KDM4E (0.40) | KDM4ENOTUMALDH1A1HSD17B10 | |
| SCHEMBL4657837 | 0.79 | PTGS2 (0.37) | SDHBMAPTSIGMAR1ALDH1A1 |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |