Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 8/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
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 SCHEMBL6679889 | 0.99 | PTGIR (0.51) | PTGIRADRA2AADRA2BADRA2CCHRM2 | |
| SCHEMBL6678176 | 0.84 | PTGIR (0.47) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| SCHEMBL6676318 | 0.84 | PTGIR (0.47) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| SCHEMBL6676057 | 0.84 | PTGIR (0.47) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| Hydrochloric Acid SCHEMBL6677779 | 0.82 | ADRA2A (0.48) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| Hydrochloric Acid SCHEMBL6675082 | 0.82 | PTGIR (0.46) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| SCHEMBL6675026 | 0.82 | PTGIR (0.49) | PTGIRADRA2AADRA2BADRA2CKCNH2 | |
| Hydrochloric Acid SCHEMBL6676295 | 0.82 | PTGIR (0.46) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| SCHEMBL6676284 | 0.81 | PTGIR (0.45) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 | |
| Hydrochloric Acid SCHEMBL6674389 | 0.81 | PTGIR (0.48) | PTGIRADRA2AADRA2BADRA2CSIGMAR1 |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | claimed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | claimed |