Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17398446 | 0.79 | CTSA (0.31) | ALDH1A1CTSASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17398470 | 0.78 | SLC18A3 (0.36) | SLC18A3SIGMAR1LMNAGLSCTSA | |
| SCHEMBL17398372 | 0.76 | CTSA (0.38) | SLC18A3SIGMAR1ALDH1A1CTSASLC6A4 | |
| SCHEMBL17410072 | 0.76 | MAOB (0.41) | ALDH1A1MAOAMAOB | |
| SCHEMBL23440885 | 0.73 | SIGMAR1 (0.48) | SLC18A3SIGMAR1MAOB | |
| SCHEMBL17295945 | 0.73 | SIGMAR1 (0.48) | SLC18A3SIGMAR1MAOB | |
| SCHEMBL21647854 | 0.73 | SIGMAR1 (0.48) | SLC18A3SIGMAR1MAOB | |
| SCHEMBL17398585 | 0.70 | IDO1 (0.39) | ALDH1A1CTSA | |
| SCHEMBL2893002 | 0.69 | SLC18A3 (0.46) | SLC18A3SIGMAR1LMNAGLSSLC6A2 | |
| SCHEMBL2754733 | 0.69 | SLC18A3 (0.46) | SLC18A3SIGMAR1LMNAGLSSLC6A2 |
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-3164130-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | Millennium Pharmaceuticals, Inc. (US) | 2017-05-10 | — | — | EP | disclosed |
| WO-2016004136-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | DUFFEY MATTHEW O (US) | 2016-01-07 | — | — | WO | disclosed |