Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 6/20 | 0.46 |
| ▸ | CTSD | P07339 | 7/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5224458 | 0.87 | BACE1 (0.56) | BACE1CTSDBCHEF2CSNK1E | |
| SCHEMBL5222715 | 0.84 | CTSD (0.58) | CTSD | |
| SCHEMBL3351844 | 0.81 | BACE1 (0.54) | BACE1CTSDF2ADRB1CSNK1E | |
| SCHEMBL8276492 | 0.81 | BACE1 (0.62) | HTR2AHTR2CHTR2BBACE1CTSD | |
| SCHEMBL161260 | 0.81 | BACE1 (0.62) | HTR2AHTR2CHTR2BBACE1CTSD | |
| SCHEMBL3455222 | 0.81 | BACE1 (0.62) | HTR2AHTR2CHTR2BBACE1CTSD | |
| SCHEMBL5385450 | 0.80 | CTSD (0.44) | HTR2AHTR2CHTR2BBACE1CTSD | |
| Hydrochloric Acid SCHEMBL2499284 | 0.80 | BACE1 (0.61) | HTR2AHTR2CHTR2BBACE1CTSD | |
| SCHEMBL5385448 | 0.79 | CTSD (0.65) | BACE1CTSDBACE2BCHE | |
| SCHEMBL13315977 | 0.79 | BACE1 (0.56) | HTR2AHTR2CHTR2BBACE1CTSD |
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 |