Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | BACE1 | P56817 | 9/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | NCOR1 | O75376 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL933016 | 0.89 | BACE1 (0.45) | HDAC1BACE1BACE2MAPTHDAC8 | |
| SCHEMBL933505 | 0.84 | CYP1A2 (0.36) | HDAC1BACE1CYP1A2MAPTCYP2C9 | |
| SCHEMBL16056614 | 0.84 | HDAC1 (0.36) | HDAC1BACE1CYP1A2MAPTCYP2C9 | |
| SCHEMBL932395 | 0.83 | BACE1 (0.55) | BACE1BACE2 | |
| SCHEMBL16056912 | 0.82 | HDAC1 (0.35) | HDAC1BACE1BACE2CYP1A2MAPT | |
| SCHEMBL933126 | 0.80 | KCNH2 (0.35) | HDAC1BACE1BACE2MAPT | |
| SCHEMBL18190783 | 0.79 | BACE1 (0.42) | HDAC1BACE1BACE2CYP1A2MAPT | |
| SCHEMBL969139 | 0.78 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL16055808 | 0.78 | BACE1 (0.44) | HDAC1BACE1BACE2 | |
| SCHEMBL17962975 | 0.78 | BACE1 (0.33) | HDAC1BACE1BACE2CYP1A2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451793-A1 | BACE INHIBITORS | Eli Lilly and Company (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |