Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.39 |
| ▸ | CTSD | P07339 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 14/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579605 | 1.00 | BACE1 (0.39) | BACE1CTSDCTSBPOLBRECQL | |
| SCHEMBL5130146 | 0.83 | BACE1 (0.43) | BACE1CTSDCTSB | |
| SCHEMBL5130141 | 0.83 | BACE1 (0.43) | BACE1CTSDCTSB | |
| SCHEMBL5125224 | 0.82 | BACE1 (0.38) | BACE1CTSDCTSB | |
| SCHEMBL3354599 | 0.80 | BACE1 (0.57) | BACE1CTSDCTSB | |
| SCHEMBL3354606 | 0.80 | BACE1 (0.57) | BACE1CTSDCTSB | |
| SCHEMBL5127690 | 0.80 | BACE1 (0.43) | BACE1CTSDCTSB | |
| SCHEMBL5127687 | 0.80 | BACE1 (0.43) | BACE1CTSDCTSB | |
| SCHEMBL5124829 | 0.79 | BACE1 (0.42) | BACE1CTSDCTSB | |
| SCHEMBL5124685 | 0.78 | BACE1 (0.42) | BACE1CTSDCTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |