Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 4/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5223859 | 0.89 | CTSD (0.42) | CTSDBACE1BACE2DRD2CYP3A4 | |
| SCHEMBL5218910 | 0.88 | MCL1 (0.34) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5221011 | 0.86 | CTSD (0.39) | CTSDBACE1BACE2DRD2CYP3A4 | |
| SCHEMBL5219939 | 0.85 | BACE1 (0.43) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5222895 | 0.84 | MCL1 (0.35) | DRD2 | |
| SCHEMBL5223226 | 0.82 | KDM4E (0.38) | CTSDBACE1BACE2CYP3A4CYP2C19 | |
| SCHEMBL5221778 | 0.81 | BACE1 (0.41) | CTSDBACE1BACE2CYP3A4CYP2D6 | |
| SCHEMBL5219078 | 0.79 | PTGS2 (0.33) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL5219097 | 0.79 | PTGS2 (0.33) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL5219089 | 0.79 | PTGS2 (0.33) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |