Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2652911 | 0.87 | ADORA1 (0.39) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL2650917 | 0.85 | BCAT1 (0.47) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL19062287 | 0.84 | ALDH1A1 (0.46) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL29555331 | 0.81 | KDM4E (0.43) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL185690 | 0.81 | KDM4E (0.43) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL28724575 | 0.80 | BCAT1 (0.41) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL2569036 | 0.79 | ADORA1 (0.46) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL6695094 | 0.77 | ADORA1 (0.40) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL2650208 | 0.76 | GABRA5 (0.45) | ADORA1ADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL2651882 | 0.76 | BCAT1 (0.41) | DYRK1ABCAT1GABRA1GABRG2GABRB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040171633-A1 | (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | MERCK SHARP & DOHME LTD. (GB) | 2004-09-02 | — | — | 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-20040171633-A1 | (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses | GABRA1, GABRA4, GABRA6 | ADORA1 131/4885ADORA2A 111/4885KDM4E 3723/4885 |
“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.