Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 2/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | PNMT | P11086 | 4/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL17675644 | 0.77 | TDP2 (0.33) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL9958538 | 0.75 | TDP2 (0.46) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL1465235 | 0.74 | CA1 (0.41) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL7882442 | 0.74 | CA1 (0.41) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL31076 | 0.72 | BACE1 (0.40) | TDP2CMA1AHRMETAP1BACE1 | |
| SCHEMBL9958466 | 0.72 | BACE1 (0.40) | TDP2CMA1AHRMETAP1BACE1 | |
| SCHEMBL17675528 | 0.70 | BACE1 (0.42) | TDP2CMA1AHRBRD4BACE1 | |
| SCHEMBL11073635 | 0.68 | TDP2 (0.47) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL30493 | 0.67 | TDP2 (0.39) | TDP2CMA1AHRBRD4METAP1 | |
| SCHEMBL18543791 | 0.66 | TDP2 (0.36) | TDP2CMA1AHRBRD4METAP1 |
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 |