Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.37 |
| ▸ | MERTK | Q12866 | 3/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | GAS6 | Q14393 | 2/20 | 0.37 |
| ▸ | AXL | P30530 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5042952 | 0.86 | THRB (0.43) | THRBCXCR4RAB9AMEN1NPC1 | |
| SCHEMBL5042209 | 0.85 | HSD17B10 (0.46) | THRBCXCR4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5049081 | 0.84 | HSD17B10 (0.47) | THRBCXCR4RAB9AMEN1NPC1 | |
| SCHEMBL5046796 | 0.81 | CXCR4 (0.47) | THRBCXCR4RAB9AMEN1NPC1 | |
| SCHEMBL5046236 | 0.81 | HSD17B10 (0.46) | THRBCXCR4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5043353 | 0.81 | ALDH1A1 (0.44) | THRBCXCR4MEN1HPGDTSHR | |
| SCHEMBL5042347 | 0.80 | HSD17B10 (0.48) | THRBCXCR4RAB9ASMN1; SMN2TLR9 | |
| SCHEMBL6022036 | 0.76 | THRB (0.48) | THRBRAB9AMEN1NPC1KMT2A | |
| SCHEMBL5047449 | 0.74 | SPHK1 (0.40) | THRBRAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5045769 | 0.74 | SMN1; SMN2 (0.43) | MEN1HPGDKMT2ASMN1; SMN2POLB |
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 | THRB 434/4885CXCR4 371/4885RAB9A 4057/4885 |
“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.