Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.82 |
| ▸ | HTT | P42858 | 1/20 | 0.82 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | CSF1R | P07333 | 2/20 | 0.68 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.68 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.68 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Diaveridine SCHEMBL29527560 | 0.90 | DHFR (1.00) | DHFRHTTCSF1RNTRK2NTRK1 | |
| Diaveridine SCHEMBL93896 | 0.90 | DHFR (1.00) | DHFRHTTCSF1RNTRK2NTRK1 | |
| SCHEMBL9654048 | 0.86 | DHFR (0.78) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| Bromide SCHEMBL10488914 | 0.85 | DHFR (0.76) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11391196 | 0.85 | DHFR (0.76) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| SCHEMBL10488908 | 0.85 | DHFR (0.85) | DHFRHTTCSF1RNTRK2NTRK1 | |
| SCHEMBL11595225 | 0.84 | DHFR (0.77) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| SCHEMBL11546389 | 0.84 | DHFR (0.74) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| Aditeren SCHEMBL1230789 | 0.84 | DHFR (0.81) | DHFRHTTMEN1SLC22A1ALDH1A1 | |
| SCHEMBL9657245 | 0.84 | DHFR (0.78) | DHFRHTTCSF1RNTRK2NTRK1 |
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 |