Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5046771 | 1.00 | HSD17B10 (0.38) | HSD17B10CYP1A2ALOX5MAPTSMN1; SMN2 | |
| SCHEMBL5042312 | 0.73 | HSD17B10 (0.46) | HSD17B10CYP1A2SMN1; SMN2RGS12ALOX15 | |
| SCHEMBL5045849 | 0.70 | CYP1A2 (0.41) | HSD17B10CYP1A2MAPTSMN1; SMN2ALOX15 | |
| SCHEMBL5050426 | 0.69 | HTT (0.41) | HSD17B10CYP1A2SMN1; SMN2HTTRAB9A | |
| SCHEMBL5050422 | 0.69 | HTT (0.41) | HSD17B10CYP1A2SMN1; SMN2HTTRAB9A | |
| SCHEMBL5042347 | 0.69 | HSD17B10 (0.48) | HSD17B10CYP1A2SMN1; SMN2RGS12ALOX15 | |
| SCHEMBL5049081 | 0.68 | HSD17B10 (0.47) | HSD17B10CYP1A2SMN1; SMN2RGS12ALOX15 | |
| SCHEMBL5046006 | 0.67 | CXCR4 (0.41) | HSD17B10CYP1A2MAPTSMN1; SMN2HTT | |
| SCHEMBL5046002 | 0.67 | CXCR4 (0.41) | HSD17B10CYP1A2MAPTSMN1; SMN2HTT | |
| SCHEMBL5047300 | 0.67 | ALDH1A1 (0.48) | HSD17B10CYP1A2MAPTSMN1; SMN2ALOX15 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7351700-B2 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | HOFFMANN-LA ROCHE INC. (US) | 2008-04-01 | — | — | US | claimed |
| US-20050197337-A1 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | HOFFMANN-LA ROCHE INC. | 2005-09-08 | — | — | US | claimed |
| US-7351700-B2 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | HOFFMANN-LA ROCHE INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1725239-B1 | 4-(SULFANYL-PYRIMIDIN-4-YLMETHYL)-MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | HOFFMANN LA ROCHE (CH) | 2007-07-18 | — | — | EP | disclosed |
| EP-1725239-A1 | 4-(SULFANYL-PYRIMIDIN-4-YLMETHYL)-MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005094828-A1 | 4- (SULFANYL-PYRIMIDIN-4-YLMETHYL) -MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS GABA RECEPTOR LIGANDS FOR THE TREATMENT OF ANXIETY, DEPRESSION AND EPILEPSY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| US-20050197337-A1 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | HOFFMANN-LA ROCHE INC. | 2005-09-08 | — | — | US | 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-20050197337-A1 | Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors | CHRNA2, CNR2, GABRB2 | HSD17B10 4357/4885CYP1A2 488/4885ALOX5 1066/4885 |
“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.