Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7303608 | 0.92 | ALDH1A1 (0.42) | USP2ALDH1A1HTTCYP2D6MAPT | |
| SCHEMBL7300994 | 0.83 | — | — | |
| SCHEMBL12023010 | 0.77 | S1PR2 (0.36) | ALDH1A1HTTS1PR2S1PR1S1PR3 | |
| SCHEMBL18349451 | 0.77 | ALDH1A1 (0.35) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL16390540 | 0.76 | CYP2D6 (0.59) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL21660301 | 0.76 | CYP2D6 (0.59) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL16390346 | 0.76 | CYP2D6 (0.59) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL1117453 | 0.76 | CYP2D6 (0.59) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL16236163 | 0.76 | CYP2D6 (0.43) | ALDH1A1HTTCYP2D6MAPTLMNA | |
| SCHEMBL16390457 | 0.76 | CYP2D6 (0.59) | ALDH1A1HTTCYP2D6MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |