Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL11474073 | 0.82 | DHFR (0.78) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11478045 | 0.81 | DHFR (0.71) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL2149748 | 0.81 | DHFR (0.70) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11482514 | 0.81 | DHFR (0.60) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL30253540 | 0.78 | DHFR (0.62) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL5657315 | 0.77 | DHFR (0.61) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL9828485 | 0.76 | DHFR (0.79) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL24506 | 0.76 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL29462189 | 0.76 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL2637561 | 0.76 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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-4590271-A | BACTERICIDES | BURROUGHS WELLCOME CO. (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0096214-A1 | Antibacterial pyrimidine compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-12-21 | — | — | EP | disclosed |