Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | NT5E | P21589 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1938915 | 0.81 | CA2 (0.43) | ALDH1A1KDM4E | |
| SCHEMBL4852760 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10NT5ETSHRTDP1 | |
| Hydrochloric Acid SCHEMBL11048859 | 0.77 | MAPT (0.42) | ALDH1A1HSD17B10TP53GAAKDM4E | |
| SCHEMBL1939237 | 0.70 | ALDH1A1 (0.40) | ALDH1A1TP53GAAKDM4EMAPT | |
| SCHEMBL4851474 | 0.69 | GPR35 (0.40) | ALDH1A1HSD17B10TSHRTDP1CASP6 | |
| SCHEMBL13783603 | 0.67 | DAO (0.47) | — | |
| Methane SCHEMBL11877352 | 0.67 | ALDH1A1 (0.34) | ALDH1A1HSD17B10NT5ETSHRTDP1 | |
| SCHEMBL5182933 | 0.67 | ALDH1A1 (0.43) | ALDH1A1HSD17B10NT5ETSHRTDP1 | |
| SCHEMBL16272782 | 0.64 | CYP3A4 (0.35) | ALDH1A1HSD17B10TSHRTDP1TP53 | |
| SCHEMBL11310899 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101115755-B | Pyrazolo-pyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE | 2013-01-16 | — | — | CN | disclosed |
| US-7361659-B2 | Pyrrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-04-22 | — | — | US | disclosed |
| CN-101115755-A | Pyrazolo-pyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE (CH) | 2008-01-30 | — | — | CN | disclosed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| US-20060183756-A1 | Pyrrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | US | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060183756-A1 | Pyrrazolo-pyrimidine derivatives | GRM1, GRM2, GRM3 | ALDH1A1 617/4885HSD17B10 2867/4885NT5E 2557/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.