Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.51 |
| ▸ | NQO2 | P16083 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL9829864 | 0.82 | NQO2 (0.50) | DHFRNQO2MAPTALDH1A1PRNP | |
| SCHEMBL9830322 | 0.78 | DHFR (0.48) | DHFRMAPTALDH1A1CRHR1 | |
| SCHEMBL9830058 | 0.78 | NQO2 (0.46) | DHFRNQO2MAPTALDH1A1PRNP | |
| SCHEMBL9830239 | 0.78 | NQO2 (0.46) | DHFRNQO2MAPTALDH1A1PRNP | |
| SCHEMBL5240783 | 0.76 | DHFR (0.46) | DHFRMAPTCRHR1 | |
| SCHEMBL20350862 | 0.69 | NQO2 (0.46) | DHFRNQO2MAPTALDH1A1PRNP | |
| SCHEMBL22715235 | 0.69 | NQO2 (0.46) | NQO2MAPTALDH1A1PRNPNPSR1 | |
| SCHEMBL22715357 | 0.67 | NQO2 (0.44) | NQO2MAPTALDH1A1PRNPNPSR1 | |
| SCHEMBL22750299 | 0.67 | CRHR1 (0.47) | NQO2MAPTALDH1A1PRNPNPSR1 | |
| SCHEMBL16167165 | 0.67 | NQO2 (0.44) | NQO2MAPTALDH1A1PRNPNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0096214-B1 | ANTIBACTERIAL PYRIMIDINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-02-27 | — | — | EP | disclosed |
| US-4587341-A | BACTERICIDES | BURROUGHS WELLCOME CO. (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0096214-A1 | Antibacterial pyrimidine compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-12-21 | — | — | EP | disclosed |