Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7097687 | 1.00 | HSD11B1 (0.47) | HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1 | |
| SCHEMBL1830641 | 0.88 | HSD11B1 (0.44) | HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1 | |
| SCHEMBL10868114 | 0.83 | NFE2L2 (0.41) | HSD11B1NFE2L2PTGS1TRPA1ALOX5 | |
| SCHEMBL10868116 | 0.83 | NFE2L2 (0.41) | HSD11B1NFE2L2PTGS1TRPA1ALOX5 | |
| SCHEMBL79556 | 0.82 | ALDH1A1 (0.52) | HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1 | |
| SCHEMBL79555 | 0.82 | ALDH1A1 (0.52) | HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1 | |
| SCHEMBL18643997 | 0.81 | HDAC1 (0.40) | NFE2L2PTGS1GRIK1GRIK2 | |
| SCHEMBL17862090 | 0.81 | NFE2L2 (0.59) | HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1 | |
| SCHEMBL4947758 | 0.80 | HDAC1 (0.39) | NFE2L2PTGS1GRIK1GRIK2 | |
| SCHEMBL4947753 | 0.80 | HDAC1 (0.39) | NFE2L2PTGS1GRIK1GRIK2 |
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-0809647-B1 | CHIRAL ORGANOMETALLIC COMPOUNDS | AVECIA LTD (GB) | 2003-09-10 | — | — | EP | disclosed |
| US-4853382-A | TREATING ASTHMA AND BRONCHITIS | GLAXO GROUP LIMITED (GB) | 1989-08-01 | — | — | US | disclosed |
| US-4730008-A | STIMULANT FOR BETA-ADRENORECEPTORS | GLAXO GROUP LIMITED (GB) | 1988-03-08 | — | — | US | disclosed |