Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9948162 | 0.83 | TDP1 (0.46) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL30726 | 0.82 | BACE1 (0.43) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL9948561 | 0.77 | TDP1 (0.44) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL30106 | 0.77 | TDP1 (0.44) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL1464250 | 0.77 | TDP1 (0.39) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL31018 | 0.77 | TDP1 (0.39) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL1464933 | 0.75 | TDP1 (0.37) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL30482 | 0.75 | TDP1 (0.45) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL1465537 | 0.75 | TDP1 (0.41) | TDP1L3MBTL1CA1CA2CA4 | |
| SCHEMBL10249815 | 0.74 | CA1 (0.42) | TDP1L3MBTL1CA1CA2CA4 |
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 |