Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | LAP3 | P28838 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537171 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL28156051 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL627617 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL910535 | 0.87 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL26323603 | 0.87 | LTA4H (0.50) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL27718614 | 0.85 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1SLC1A3SLC1A1 | |
| SCHEMBL27622821 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL28039282 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL31709800 | 0.81 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 | |
| SCHEMBL27543987 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102161656-B | Aspartic acid-specific caspase inhibitors and uses thereof | VERTEX PHARMA | 2013-02-20 | — | — | CN | disclosed |
| CN-102161656-A | Caspase inhibitors and uses thereof | VERTEX PHARMA | 2011-08-24 | — | — | CN | disclosed |
| CN-1942466-B | Caspase inhibitors and uses thereof | VERTEX PHARMA CO LTD | 2011-02-23 | — | — | CN | disclosed |
| CN-1942466-A | Caspase inhibitors and uses thereof | VERTEX PHARMA (US) | 2007-04-04 | — | — | CN | disclosed |