Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | SHMT1 | P34896 | 4/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL6999042 | 0.88 | ACE2 (0.47) | KIF11ACE2JUNNFKB1NFKB2 | |
| SCHEMBL7002017 | 0.88 | ABL1 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL27344607 | 0.78 | ACE2 (0.43) | KIF11ACE2DGAT1SOAT1KCNH2 | |
| SCHEMBL7988325 | 0.76 | ALDH1A1 (0.36) | ACE2KCNH2JUNNFKB1NFKB2 | |
| SCHEMBL28404933 | 0.70 | ABL1 (0.43) | — | |
| SCHEMBL5671424 | 0.69 | MMP12 (0.45) | MEN1ALDH1A1ALOX15KMT2AHSD17B10 | |
| SCHEMBL27344614 | 0.68 | KIF11 (0.41) | KIF11ACE2 | |
| SCHEMBL27344285 | 0.67 | ACE2 (0.54) | KIF11ACE2JUNNFKB1NFKB2 | |
| SCHEMBL7001776 | 0.67 | ACE2 (0.35) | ACE2 | |
| Hydrochloric Acid SCHEMBL6988641 | 0.66 | ACE2 (0.34) | ACE2 |
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-1015437-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012915-A1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |