Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | BACE1 | P56817 | 7/20 | 0.38 |
| ▸ | CTSD | P07339 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5582515 | 1.00 | MAPK1 (0.41) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5582514 | 1.00 | MAPK1 (0.41) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5579871 | 0.91 | MAPK1 (0.41) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5579867 | 0.91 | MAPK1 (0.41) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5579876 | 0.91 | MAPK1 (0.41) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5127703 | 0.82 | MAPK1 (0.37) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL5127700 | 0.77 | MAPK1 (0.36) | MAPK1ALDH1A1BACE1CTSDKDM4E | |
| SCHEMBL3348528 | 0.77 | BACE1 (0.49) | ALDH1A1BACE1CTSDKDM4EPOLB | |
| SCHEMBL3348521 | 0.77 | BACE1 (0.49) | ALDH1A1BACE1CTSDKDM4EPOLB | |
| SCHEMBL5131022 | 0.71 | BACE1 (0.39) | ALDH1A1BACE1CTSDCTSB |
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 | disclosed |