Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6997540 | 0.84 | SMYD3 (0.38) | SMYD3PDE3BPDE3APARP1KDR | |
| SCHEMBL7000031 | 0.83 | SMYD3 (0.38) | SMYD3PDE3BPDE3APARP1KDR | |
| SCHEMBL7002331 | 0.82 | CYP17A1 (0.32) | TSHRCYP19A1CYP17A1 | |
| SCHEMBL6998315 | 0.80 | SMYD3 (0.37) | SMYD3PDE3BPDE3APARP1KDR | |
| SCHEMBL6998308 | 0.78 | PARP1 (0.46) | SMYD3HSD17B10PDE3BPDE3APARP1 | |
| SCHEMBL7708177 | 0.77 | MAPT (0.36) | SMYD3MAPTHSD17B10TSHRPDE3B | |
| SCHEMBL6997632 | 0.74 | PARP1 (0.42) | SMYD3PDE3BPDE3APARP1GAA | |
| SCHEMBL6992024 | 0.74 | PARP1 (0.44) | SMYD3MAPTHSD17B10TSHRPDE3B | |
| SCHEMBL7000925 | 0.72 | PARP1 (0.42) | SMYD3TSHRPARP1GAAPOLB | |
| SCHEMBL6998306 | 0.72 | PARP1 (0.40) | SMYD3TSHRPDE3BPDE3APARP1 |
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 |