Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 10/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 5/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL5130670 | 0.89 | BACE1 (0.39) | IMPDH2AAK1 | |
| SCHEMBL5579814 | 0.69 | BACE1 (0.33) | — | |
| SCHEMBL3350514 | 0.65 | BACE1 (0.47) | — | |
| SCHEMBL13308180 | 0.65 | BACE1 (0.47) | — | |
| SCHEMBL5377505 | 0.65 | BACE1 (0.47) | — | |
| SCHEMBL5377510 | 0.65 | BACE1 (0.47) | — | |
| SCHEMBL5579586 | 0.65 | AAK1 (0.37) | IMPDH2AAK1IMPDH1 | |
| SCHEMBL5579592 | 0.65 | AAK1 (0.37) | IMPDH2AAK1IMPDH1 | |
| SCHEMBL5579599 | 0.65 | AAK1 (0.37) | IMPDH2AAK1IMPDH1 | |
| SCHEMBL5579545 | 0.65 | BACE1 (0.32) | — |
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 |