Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 18/20 | 0.64 |
| ▸ | CTSD | P07339 | 15/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3353676 | 0.87 | BACE1 (0.69) | BACE1CTSD | |
| SCHEMBL3172199 | 0.85 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL5713785 | 0.85 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL3502673 | 0.85 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL3502670 | 0.85 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL3172210 | 0.85 | BACE1 (0.79) | BACE1CTSD | |
| SCHEMBL14577807 | 0.83 | BACE1 (0.62) | BACE1CTSD | |
| SCHEMBL13307163 | 0.80 | BACE1 (0.62) | BACE1CTSDMEN1KMT2A | |
| SCHEMBL3348581 | 0.80 | BACE1 (0.62) | BACE1CTSDMEN1KMT2A | |
| SCHEMBL3348579 | 0.80 | BACE1 (0.62) | BACE1CTSDMEN1KMT2A |
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-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |