Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6993302 | 0.93 | ALOX5 (0.32) | ALOX5 | |
| SCHEMBL6994308 | 0.93 | CYP3A4 (0.32) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL7001710 | 0.91 | FFAR1 (0.32) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL7002397 | 0.91 | ALOX5 (0.31) | ALOX5 | |
| SCHEMBL8137237 | 0.91 | ALOX5 (0.35) | ALOX5 | |
| SCHEMBL7001571 | 0.91 | GRM2 (0.34) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL7000917 | 0.90 | AR (0.32) | CYP1A2CYP2D6CYP2C19ALOX5 | |
| SCHEMBL6998556 | 0.90 | — | — | |
| SCHEMBL8113338 | 0.89 | — | — | |
| SCHEMBL6993228 | 0.89 | CA2 (0.34) | KDM4E |
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 3 patents. 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 |
| 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 |