Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5570996 | 0.86 | KDM4E (0.44) | KDM4ETGFBR1TRPV1PTPN1DHODH | |
| SCHEMBL5252752 | 0.84 | KDM4E (0.38) | KDM4ETGFBR1PTPN1GSK3ADHODH | |
| SCHEMBL312326 | 0.77 | TGFBR1 (0.52) | KDM4ETGFBR1GSK3APOLBMAPT | |
| SCHEMBL20199425 | 0.74 | GSK3A (0.56) | KDM4EGSK3ADHODHPOLBMAPT | |
| SCHEMBL4592824 | 0.74 | TRPV1 (0.40) | TRPV1DHODHPTGER1 | |
| SCHEMBL19029988 | 0.72 | PDE2A (0.43) | KDM4EPOLBMAPTSMN1; SMN2PDE2A | |
| SCHEMBL26979908 | 0.70 | POLB (0.43) | KDM4EPOLBMAPTSMN1; SMN2KMT2A | |
| SCHEMBL312755 | 0.68 | KDM4E (0.80) | KDM4EPOLBMAPTMEN1LMNA | |
| SCHEMBL10697169 | 0.67 | TGFBR1 (0.58) | KDM4ETGFBR1POLBMAPTSMN1; SMN2 | |
| SCHEMBL6491306 | 0.67 | PTPN1 (0.46) | TRPV1PTPN1DHODH |
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-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |