Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL6998306 | 0.87 | PARP1 (0.40) | SMYD3DAOPARP1ALDH1A1PDE3B | |
| SCHEMBL6991269 | 0.87 | PARP1 (0.40) | SMYD3DAOPARP1KDRPDE3B | |
| SCHEMBL7000920 | 0.85 | PARP1 (0.41) | SMYD3DAOPARP1PDE3BPDE3A | |
| SCHEMBL6994403 | 0.85 | PARP1 (0.41) | SMYD3DAOPARP1ALDH1A1KDR | |
| SCHEMBL7001012 | 0.84 | PARP1 (0.40) | SMYD3PARP1ALDH1A1KDRPDE3B | |
| SCHEMBL6996238 | 0.83 | PARP1 (0.41) | SMYD3PARP1PDE3BPDE3AHTR1A | |
| SCHEMBL6999457 | 0.83 | PARP1 (0.42) | SMYD3PARP1ALDH1A1TSHR | |
| SCHEMBL6996470 | 0.83 | ALDH1A1 (0.34) | DAOALDH1A1MAPTTSHR | |
| SCHEMBL6998343 | 0.83 | PARP1 (0.37) | SMYD3PARP1ALDH1A1KDRPDE3B | |
| SCHEMBL6992809 | 0.82 | PARP1 (0.40) | SMYD3DAOPARP1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |