Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.41 |
| ▸ | CTSD | P07339 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 15/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5131863 | 1.00 | BACE1 (0.41) | BACE1CTSDCTSBLMNA | |
| SCHEMBL5130264 | 0.85 | BACE1 (0.45) | BACE1CTSD | |
| SCHEMBL5131864 | 0.79 | BACE1 (0.42) | BACE1CTSDCTSB | |
| SCHEMBL5131385 | 0.78 | HRH3 (0.38) | CTSB | |
| SCHEMBL5121993 | 0.77 | BACE1 (0.51) | BACE1CTSD | |
| SCHEMBL6171817 | 0.77 | BACE1 (0.51) | BACE1CTSD | |
| SCHEMBL3349064 | 0.77 | BACE1 (0.53) | BACE1CTSDCTSB | |
| SCHEMBL2874563 | 0.77 | BACE1 (0.53) | BACE1CTSDCTSB | |
| Hydrochloric Acid SCHEMBL3348461 | 0.76 | BACE1 (0.52) | BACE1CTSDCTSB | |
| SCHEMBL5124359 | 0.74 | BACE1 (0.44) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534693-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2005-06-01 | — | — | EP | claimed |
| WO-2004022523-A2 | 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | claimed |