Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4415027 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10HPGDALOX15 | |
| SCHEMBL1089521 | 0.73 | CXCR4 (0.58) | ALDH1A1KDM4EHSD17B10HPGDALOX15 | |
| SCHEMBL13650808 | 0.72 | PIK3CA (0.43) | ALDH1A1KDM4EHSD17B10HPGDALOX15 | |
| SCHEMBL4418202 | 0.72 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10HPGDALOX15 | |
| SCHEMBL11340503 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL3310965 | 0.63 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10ALOX15MAPT | |
| SCHEMBL31582428 | 0.63 | ALDH1A1 (0.63) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL2323024 | 0.63 | ALDH1A1 (0.63) | ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL9726233 | 0.62 | SIGMAR1 (0.61) | HTR1ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL1596638 | 0.61 | DRD4 (0.50) | ALDH1A1ALOX15MAPTHTR1ATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673795-B2 | SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. | 2004-01-06 | — | — | US | disclosed |
| US-20030060466-A1 | Pyrimidine, pyrazine and triazine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-27 | — | — | 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-20030060466-A1 | Pyrimidine, pyrazine and triazine derivatives | P2RX5, IL5, P2RX2 | ALDH1A1 2009/4885KDM4E 2735/4885HSD17B10 4273/4885 |
“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.