Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6996848 | 0.99 | PARP1 (0.41) | PARP1CHRM2HDAC1CYP1A2CYP3A4 | |
| SCHEMBL6993345 | 0.89 | PARP1 (0.42) | PARP1CHRM2LMNA | |
| Hydrochloric Acid SCHEMBL6996685 | 0.88 | PARP1 (0.41) | PARP1CHRM2LMNA | |
| Hydrochloric Acid SCHEMBL7713373 | 0.86 | PARP1 (0.53) | PARP1PDGFRBKDR | |
| SCHEMBL7002250 | 0.86 | PARP1 (0.42) | PARP1NOS3NOS1NOS2PDGFRB | |
| SCHEMBL6993016 | 0.85 | L3MBTL1 (0.45) | PARP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6996665 | 0.85 | HTT (0.39) | PARP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7001196 | 0.85 | PARP1 (0.41) | PARP1NOS3NOS1NOS2PDGFRB | |
| Hydrochloric Acid SCHEMBL6990749 | 0.84 | L3MBTL1 (0.44) | PARP1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL6998295 | 0.84 | HTT (0.41) | PARP1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 | claimed |