Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3409571 | 0.85 | NPC1 (0.56) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL31079637 | 0.85 | POLB (0.53) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7270115 | 0.82 | NPC1 (0.54) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21605311 | 0.82 | NPC1 (0.50) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9490613 | 0.82 | NPC1 (0.50) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL10972741 | 0.82 | NPC1 (0.50) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28711480 | 0.81 | NPC1 (0.55) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28998050 | 0.81 | NPC1 (0.52) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL13496587 | 0.79 | SLC1A3 (0.54) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL13885611 | 0.79 | MEN1 (0.56) | NPC1RAB9ASLC1A3SLC1A2SLC1A1 |
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 |