Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.56 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922151 | 0.89 | BACE1 (0.57) | BACE1KDM1AMAOAMAOBL3MBTL1 | |
| SCHEMBL8266893 | 0.82 | BACE1 (0.77) | BACE1NPC1RAB9AKMT2A | |
| SCHEMBL18780834 | 0.73 | L3MBTL1 (0.57) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL8272691 | 0.72 | BACE1 (0.75) | BACE1 | |
| SCHEMBL13525179 | 0.71 | L3MBTL1 (0.57) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL30036639 | 0.69 | L3MBTL1 (0.55) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL30036881 | 0.69 | L3MBTL1 (0.55) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL1696343 | 0.69 | L3MBTL1 (0.55) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL9001650 | 0.69 | MAOA (0.63) | KDM1AMAOAMAOBL3MBTL1NPC1 | |
| SCHEMBL6324478 | 0.68 | MAOA (0.59) | KDM1AMAOAMAOBL3MBTL1NPC1 |
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-8436006-B2 | 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) | JANSSSEN PHARMACEUTICA N.V. (BE) | 2013-05-07 | — | — | US | disclosed |