Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | NCOR1 | O75376 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ADCY1 | Q08828 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL933518 | 0.84 | HDAC1 (0.39) | CYP1A2MAPTCYP2C9CYP2C19HDAC2 | |
| SCHEMBL16056122 | 0.83 | HDAC1 (0.34) | CYP1A2MAPTCYP2C9CYP2C19HDAC2 | |
| SCHEMBL16055734 | 0.81 | HDAC1 (0.33) | CYP1A2MAPTCYP2C9CYP2C19HDAC2 | |
| SCHEMBL933387 | 0.80 | USP2 (0.34) | HSD17B10 | |
| SCHEMBL966675 | 0.77 | BACE1 (0.49) | CYP1A2MAPTCYP2C9CYP2C19HDAC1 | |
| SCHEMBL18192811 | 0.77 | BACE1 (0.49) | CYP1A2MAPTCYP2C9CYP2C19HDAC1 | |
| SCHEMBL933016 | 0.77 | BACE1 (0.45) | MAPTHDAC1HDAC8BACE1NPC1 | |
| SCHEMBL16057539 | 0.76 | BACE1 (0.45) | HDAC2HDAC1HDAC3HDAC8BACE1 | |
| SCHEMBL932814 | 0.75 | BACE1 (0.46) | HDAC3BACE1NCOR2 | |
| SCHEMBL933126 | 0.72 | KCNH2 (0.35) | MAPTHDAC1BACE1 |
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 |