Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PRNP | P04156 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
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 | 0.85 | NQO2 (0.50) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL20521814 | 0.82 | CYP3A4 (0.44) | NQO2MAPTALDH1A1APPERN1 | |
| SCHEMBL4757968 | 0.81 | MAPT (0.39) | MAPTKMT2ANPC1POLBGAA | |
| SCHEMBL22715235 | 0.81 | NQO2 (0.46) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL9830058 | 0.81 | NQO2 (0.46) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL6590987 | 0.79 | GPR35 (0.51) | NQO2ALDH1A1ERN1ALOX15L3MBTL1 | |
| SCHEMBL22715357 | 0.79 | NQO2 (0.44) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL9830743 | 0.78 | DHFR (0.51) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL18451103 | 0.78 | LMNA (0.39) | NQO2MAPTPRNPNPSR1ALDH1A1 | |
| SCHEMBL6080169 | 0.78 | MAPT (0.41) | NQO2MAPTALDH1A1APPERN1 |
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 |