Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995124 | 0.91 | PARP1 (0.41) | PARP1HTR1AHTR7DAOKCNH2 | |
| SCHEMBL6994403 | 0.89 | PARP1 (0.41) | PARP1DAOGRM2GRM3SMYD3 | |
| SCHEMBL7000920 | 0.89 | PARP1 (0.41) | PARP1HTR1AHTR7DAOKMT2A | |
| SCHEMBL6992809 | 0.88 | PARP1 (0.40) | PARP1DAOGRM2GRM3SMYD3 | |
| SCHEMBL7000925 | 0.85 | PARP1 (0.42) | PARP1SMYD3 | |
| SCHEMBL7001012 | 0.85 | PARP1 (0.40) | PARP1SMYD3ALDH1A1 | |
| SCHEMBL6996238 | 0.85 | PARP1 (0.41) | PARP1HTR1AHTR7SMYD3 | |
| SCHEMBL6999457 | 0.85 | PARP1 (0.42) | PARP1SMYD3ALDH1A1HSD17B10 | |
| SCHEMBL6996225 | 0.84 | PARP1 (0.39) | PARP1SMYD3ADRB2ADRB1ALDH1A1 | |
| SCHEMBL6991397 | 0.83 | PARP1 (0.40) | PARP1HTR1AHTR7SMYD3KDM4E |
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 |