Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 3/20 | 0.33 |
| ▸ | FLT4 | P35916 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15880676 | 0.80 | CA1 (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1940239 | 0.80 | ALDH1A1 (0.38) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1938603 | 0.79 | PSEN1 (0.38) | CA2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1939227 | 0.76 | THRB (0.38) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1939366 | 0.76 | KDM4E (0.39) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4859459 | 0.75 | GPR35 (0.42) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1940126 | 0.74 | PSEN1 (0.35) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL2515254 | 0.73 | GPR35 (0.41) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL27566213 | 0.73 | GPR35 (0.41) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1938624 | 0.73 | VCAM1 (0.42) | CA1CA2MMP1MMP2MMP9 |
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 |