Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19283069 | 0.84 | KMT2A (0.47) | GSK3BHDAC1HDAC8ALDH1A1MAPT | |
| SCHEMBL5186542 | 0.84 | PTPN1 (0.54) | PDPK1PTPN1GSK3BCES2CES1 | |
| SCHEMBL17713572 | 0.81 | L3MBTL1 (0.50) | GSK3BHDAC1HDAC8ALDH1A1MAPT | |
| SCHEMBL19283080 | 0.80 | HDAC3 (0.49) | HDAC1HDAC8ALDH1A1MAPT | |
| SCHEMBL19642328 | 0.78 | PDPK1 (0.65) | PDPK1PTPN1GSK3BCES2CES1 | |
| SCHEMBL1348099 | 0.77 | PTPN1 (0.46) | PDPK1PTPN1GSK3BCES2CES1 | |
| SCHEMBL11780105 | 0.76 | PDPK1 (0.61) | PDPK1PTPN1GSK3BCES2CES1 | |
| SCHEMBL18860300 | 0.75 | PTPN1 (0.59) | PDPK1PTPN1GSK3BCES2CES1 | |
| SCHEMBL19283064 | 0.75 | CA12 (0.49) | HDAC1HDAC8ALDH1A1MAPT | |
| SCHEMBL11167372 | 0.74 | PDPK1 (0.60) | PDPK1PTPN1GSK3BCES2CES1 |
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-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |