Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.41 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.37 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.37 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177351 | 1.00 | GABRR1 (0.54) | GABRR1CYP1A2ENPEPGLRA1SLC6A9 | |
| Hydrochloric Acid SCHEMBL28487836 | 0.97 | GABRR1 (0.52) | GABRR1CYP1A2ENPEPGLRA1SLC6A9 | |
| Trichloroacetic Acid SCHEMBL22607625 | 0.87 | GABRR1 (0.43) | GABRR1CYP1A2ENPEPLTA4HCACNA2D1 | |
| SCHEMBL9328436 | 0.86 | GABRR1 (0.48) | GABRR1CYP1A2ENPEPFOLH1NAALAD2 | |
| Methyl Aminolevulinate SCHEMBL31080862 | 0.81 | LMNA (0.67) | GABRR1CYP1A2 | |
| SCHEMBL27571000 | 0.80 | KDM4E (0.44) | GABRR1CYP1A2ENPEPFOLH1NAALAD2 | |
| SCHEMBL6905507 | 0.79 | CYP2C19 (0.46) | GABRR1CYP1A2SLC7A5FOLH1NAALAD2 | |
| SCHEMBL9736766 | 0.79 | TDP1 (0.45) | GABRR1CYP1A2ENPEPFOLH1NAALAD2 | |
| SCHEMBL6889464 | 0.78 | — | — | |
| SCHEMBL27867988 | 0.78 | GABRR1 (0.43) | GABRR1ENPEPGLRA1SLC6A9OR51E2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822080-B2 | Nα, Nα, Nα-trialkyl histidine derivatives useful for the preparation of ergothioneine compounds | MIRONOVA INNOVATIONS, LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-20170050933-A1 | Nalpha, Nalpha, Nalpha-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS | Trampota Jan (US) | 2017-02-23 | — | — | US | disclosed |
| US-20160264530-A1 | NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS | MIRONOVA INNOVATIONS, LLC | 2016-09-15 | — | — | US | disclosed |
| US-9428463-B1 | Nα, Nα, Nα-trialkyl histidine derivatives useful for the preparation of ergothioneine compounds | MIRONOVA INNOVATIONS, LLC (US) | 2016-08-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170050933-A1 | Nalpha, Nalpha, Nalpha-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS | HNMT, TTPA, FTH1 | GABRR1 2964/4885CYP1A2 1742/4885ENPEP 52/4885 |
| US-20160264530-A1 | NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS | HNMT, TTPA, FTH1 | GABRR1 2964/4885CYP1A2 1742/4885ENPEP 52/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.