Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | GUSB | P08236 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12246275 | 0.83 | MAPT (1.00) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL1822978 | 0.83 | MAPT (1.00) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL6292775 | 0.82 | HSP90AA1 (1.00) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL27588358 | 0.81 | MAPT (0.68) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL17975277 | 0.80 | MAPT (0.67) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL2790880 | 0.79 | KDM4E (0.65) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL2790877 | 0.79 | KDM4E (0.65) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL1042209 | 0.79 | HSP90AA1 (0.67) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL1042207 | 0.79 | HSP90AA1 (0.67) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 | |
| SCHEMBL30736435 | 0.78 | HSP90AA1 (0.70) | KDM4EMAPTHSP90AA1ALDH1A1NPSR1 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |