Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.39 |
| ▸ | BACE1 | P56817 | 12/20 | 0.38 |
| ▸ | CTSD | P07339 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1465053 | 0.86 | BACE1 (0.48) | PGRBACE1CTSDCTSBMAP4K4 | |
| SCHEMBL27852 | 0.82 | PGR (0.36) | PGRBACE1CTSDCTSB | |
| SCHEMBL28188 | 0.74 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12746141 | 0.71 | BACE1 (0.47) | PGRBACE1CTSDCTSBMAP4K4 | |
| SCHEMBL1464483 | 0.68 | BACE1 (0.44) | PGRBACE1CTSDCTSBMAP4K4 | |
| SCHEMBL1464484 | 0.68 | BACE1 (0.44) | PGRBACE1CTSDCTSBMAP4K4 | |
| SCHEMBL28509648 | 0.62 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1465164 | 0.60 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23561634 | 0.58 | HDAC3 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL562565 | 0.58 | CA1 (0.42) | — |
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-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |