Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 6/20 | 0.31 |
| ▸ | FPR2 | P25090 | 6/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL932334 | 1.00 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1USP30BACE1 | |
| SCHEMBL933488 | 0.90 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1BRD4CREBBP | |
| SCHEMBL934246 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL3691139 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL932583 | 0.82 | BACE1 (0.44) | BACE1 | |
| SCHEMBL932781 | 0.80 | BACE1 (0.32) | AAK1BACE1 | |
| SCHEMBL966555 | 0.79 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1USP30BACE1 | |
| SCHEMBL6878525 | 0.79 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1USP30BACE1 | |
| SCHEMBL12851582 | 0.79 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1USP30BACE1 | |
| SCHEMBL967768 | 0.79 | HCRTR1 (0.37) | HCRTR1HCRTR2AAK1USP30BACE1 |
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-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |