Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19637172 | 0.67 | HTT (0.32) | ALDH1A1HTT | |
| SCHEMBL18528954 | 0.64 | TP53 (0.46) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL24773618 | 0.64 | LMNA (0.39) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL28714986 | 0.59 | NPSR1 (0.44) | TDP1NPC1ALDH1A1TP53MAPT | |
| SCHEMBL3543170 | 0.58 | LMNA (0.38) | NPC1ALDH1A1TP53MAPTXBP1 | |
| Hydrochloric Acid SCHEMBL11481691 | 0.58 | ALDH1A1 (0.36) | NPC1ALDH1A1TP53MAPTXBP1 | |
| SCHEMBL27320745 | 0.57 | MAPT (0.46) | TDP1NPC1ALDH1A1TP53MAPT | |
| SCHEMBL2475444 | 0.57 | TP53 (0.64) | TDP1NPC1ALDH1A1TP53MAPT | |
| SCHEMBL6298416 | 0.57 | HCAR2 (0.40) | TDP1NPC1ALDH1A1MAPTNPSR1 | |
| SCHEMBL7753780 | 0.57 | LMNA (0.52) | NPC1ALDH1A1TP53MAPTMAPK1 |
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-0033195-B1 | PYRIMIDINE-2-SULPHIDES AND THEIR S-OXIDES FOR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION AND SUCH COMPOUNDS WHEN NOVEL PER SE | NYEGAARD & CO. A/S (NO) | 1985-12-04 | — | — | EP | disclosed |
| US-4423047-A | INHIBITING ABNORMAL CELL PROLIFERATION | NYEGAARD & CO. A/S (NO) | 1983-12-27 | — | — | US | disclosed |
| EP-0033195-A1 | Pyrimidine-2-sulphides and their S-oxides for use in medicine, pharmaceutical compositions containing them, processes for their preparation and such compounds when novel per se | NYEGAARD & CO. A/S (NO) | 1981-08-05 | — | — | EP | disclosed |