Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.75 |
| ▸ | ACHE | P22303 | 12/20 | 0.74 |
| ▸ | BACE1 | P56817 | 12/20 | 0.74 |
| ▸ | BCHE | P06276 | 10/20 | 0.74 |
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | CCR3 | P51677 | 1/20 | 0.60 |
| ▸ | HTR5A | P47898 | 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 | |
|---|---|---|---|---|
| SCHEMBL7218175 | 0.87 | MEN1 (0.79) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL5555860 | 0.86 | BCHE (0.65) | MEN1KMT2ABCHERAB9ATP53 | |
| SCHEMBL14367985 | 0.86 | ACHE (1.00) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL9582840 | 0.85 | MEN1 (0.61) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL7213077 | 0.84 | ACHE (0.65) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL11477736 | 0.84 | FOXM1 (0.65) | MEN1KMT2ABCHERAB9AKDM4E | |
| SCHEMBL7695249 | 0.83 | ACHE (0.77) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL1803081 | 0.82 | ACHE (1.00) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL7218189 | 0.82 | ACHE (0.85) | MEN1KMT2AACHEBACE1BCHE | |
| SCHEMBL1143656 | 0.82 | NPC1 (0.85) | MEN1KMT2ANPC1RAB9ATP53 |
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-1322612-A1 | SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA | Actelion Pharmaceuticals Ltd. (CH) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002083641-A2 | AMINO-AZA-CYCLOHEXANES FOR THE TREATMENT OF MALARIA | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-10-24 | — | — | WO | disclosed |
| WO-2002024649-A1 | SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA | ACTELION PHARMACEUTICALS LTD (CH) | 2002-03-28 | — | — | WO | disclosed |