Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10741205 | 0.91 | ABCG2 (0.50) | NPC1POLBABCG2CA12CA1 | |
| SCHEMBL4535104 | 0.84 | NPC1 (0.54) | NPC1POLBABCG2CA12CA1 | |
| SCHEMBL6576793 | 0.80 | AKR1C2 (0.56) | NPC1POLBABCG2CA12CA1 | |
| SCHEMBL870484 | 0.80 | CTSD (0.62) | NPC1ABCG2CA12CA1CA2 | |
| SCHEMBL29242266 | 0.79 | AR (0.48) | NPC1POLBABCG2CA12CA1 | |
| SCHEMBL4621633 | 0.78 | STAT3 (0.58) | NPC1ABCG2CA12CA1CA2 | |
| SCHEMBL29875455 | 0.78 | STAT3 (0.58) | NPC1ABCG2CA12CA1CA2 | |
| SCHEMBL675699 | 0.77 | KDM4E (0.50) | NPC1POLBRAB9AAKR1C3HPGD | |
| SCHEMBL11774603 | 0.77 | ALDH1A1 (0.56) | POLBCA12CA1CA2CA9 | |
| SCHEMBL1073512 | 0.77 | MAPT (0.55) | NPC1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6603046-B1 | The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. | LICA PHARMACEUTICALS A/S (DK) | 2003-08-05 | — | — | US | disclosed |
| EP-0634927-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993017671-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1993-09-16 | — | — | WO | disclosed |