Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | DUT | P33316 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1939227 | 0.90 | THRB (0.38) | KDM4EALDH1A1THRBVCAM1CA1 | |
| SCHEMBL1939678 | 0.86 | ALDH1A1 (0.40) | KDM4EALDH1A1L3MBTL1THRBCA1 | |
| SCHEMBL1939276 | 0.80 | KDM4E (0.40) | KDM4EALDH1A1L3MBTL1DUTLMNA | |
| SCHEMBL15880676 | 0.78 | CA1 (0.53) | ALDH1A1VCAM1CA1CA2MMP1 | |
| SCHEMBL1940239 | 0.77 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1VCAM1CA1CA2 | |
| SCHEMBL1939178 | 0.76 | CA1 (0.37) | KDM4EALDH1A1THRBVCAM1CA1 | |
| SCHEMBL5035886 | 0.75 | THRB (0.64) | KDM4EALDH1A1L3MBTL1THRBVCAM1 | |
| SCHEMBL1940129 | 0.75 | KDM4E (0.37) | KDM4EALDH1A1L3MBTL1CA1CA2 | |
| SCHEMBL5234203 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CA1CA2MMP1MMP2 | |
| SCHEMBL1938669 | 0.73 | VCAM1 (0.46) | KDM4EALDH1A1VCAM1MAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |