Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18072719 | 1.00 | APAF1 (0.41) | APAF1POLBKDM4EMAPTRECQL | |
| SCHEMBL1065160 | 0.80 | SLC7A5 (0.45) | POLBKDM4EMAPTRECQLL3MBTL1 | |
| SCHEMBL17642074 | 0.80 | PPARG (0.32) | — | |
| Water SCHEMBL15121340 | 0.78 | SLC22A4 (0.34) | POLB | |
| SCHEMBL13643059 | 0.75 | NR4A2 (0.47) | APAF1POLBKDM4EMAPTRECQL | |
| SCHEMBL7537574 | 0.75 | NR4A2 (0.33) | L3MBTL1NR4A2 | |
| SCHEMBL11685634 | 0.74 | PTGS2 (0.33) | APAF1POLBKDM4EMAPTRECQL | |
| SCHEMBL19499931 | 0.73 | SLC22A4 (0.35) | POLB | |
| SCHEMBL13080237 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL19508757 | 0.72 | ALDH1A1 (0.34) | — |
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 | APAF1 4386/4885POLB 2834/4885KDM4E 4780/4885 |
| US-20160264530-A1 | NALPHA, NALPHA, NALPHA-TRIALKYL HISTIDINE DERIVATIVES USEFUL FOR THE PREPARATION OF ERGOTHIONEINE COMPOUNDS | HNMT, TTPA, FTH1 | APAF1 4386/4885POLB 2834/4885KDM4E 4780/4885 |
“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.