Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047300 | 0.89 | ALDH1A1 (0.48) | ALDH1A1NPSR1SMN1; SMN2LMNAHTT | |
| SCHEMBL5045760 | 0.85 | ALDH1A1 (0.45) | ALDH1A1NPSR1LMNAHTTL3MBTL1 | |
| SCHEMBL6022247 | 0.83 | ALDH1A1 (0.44) | ALDH1A1NPSR1LMNAHTTL3MBTL1 | |
| SCHEMBL5042312 | 0.79 | HSD17B10 (0.46) | ALDH1A1NPSR1SMN1; SMN2LMNAHTT | |
| SCHEMBL5042347 | 0.75 | HSD17B10 (0.48) | ALDH1A1NPSR1SMN1; SMN2HTTRAB9A | |
| SCHEMBL5045968 | 0.74 | POLB (0.46) | ALDH1A1HTTKDM1AKDM4EPOLB | |
| SCHEMBL5047467 | 0.74 | ALDH1A1 (0.42) | ALDH1A1NPSR1SMN1; SMN2LMNAHTT | |
| SCHEMBL5049081 | 0.74 | HSD17B10 (0.47) | ALDH1A1SMN1; SMN2HTTGAAMEN1 | |
| SCHEMBL14514917 | 0.73 | CXCR4 (0.47) | ALDH1A1SMN1; SMN2HTTRAB9ATSHR | |
| SCHEMBL5042209 | 0.73 | HSD17B10 (0.46) | ALDH1A1SMN1; SMN2HTTGAAMEN1 |
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 5 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 |
| 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 | ALDH1A1 3230/4885NPSR1 114/4885SMN1; SMN2 98/4885 |
“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.