Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10697204 | 0.79 | DHFR (0.41) | DHFRPTPN1BCHEHSD11B1 | |
| SCHEMBL10696497 | 0.76 | PTPN1 (0.35) | DHFRPTPN1FFAR1HSD11B1SLC6A3 | |
| SCHEMBL10697438 | 0.70 | PTPN1 (0.37) | PTPN1SLC6A3 | |
| SCHEMBL13779680 | 0.69 | DHFR (0.44) | DHFRBCHEHSD11B1SLC6A3 | |
| SCHEMBL11774258 | 0.69 | DHFR (0.42) | DHFRHSD11B1SLC6A3 | |
| SCHEMBL11769466 | 0.69 | SLC6A3 (0.49) | DHFRHSD11B1SLC6A3 | |
| SCHEMBL19291655 | 0.68 | DHFR (0.43) | DHFRBCHEHSD11B1 | |
| SCHEMBL10183535 | 0.68 | DHFR (0.45) | DHFRHSD11B1SLC6A3 | |
| SCHEMBL3964542 | 0.67 | DHFR (0.45) | DHFRHSD11B1SLC6A3 | |
| SCHEMBL2205030 | 0.67 | DHFR (0.45) | DHFRHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271287-A2 | Quinoline dioic acids and amides | MERCK FROSST CANADA INC. (CA) | 1988-06-15 | — | — | EP | disclosed |