Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Histidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.33 |
| ▸ | CPB1 | P15086 | 3/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
| ▸ | BHMT | Q93088 | 1/20 | 0.30 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 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 | |
|---|---|---|---|---|
| Histidine SCHEMBL285814 | 0.98 | GSR (0.38) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL23363055 | 0.94 | GSR (0.44) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL285488 | 0.94 | GSR (0.44) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL18297992 | 0.93 | GSR (0.46) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL285813 | 0.92 | GSR (0.33) | GSRTHRBITGB3ITGA2B | |
| Histidine SCHEMBL9244278 | 0.89 | GSR (0.42) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL9244290 | 0.89 | GSR (0.42) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL28219638 | 0.87 | BHMT (0.32) | CYP3A4SLC7A5BHMTBHMT2 | |
| Histidine SCHEMBL18297984 | 0.87 | GSR (0.46) | GSRTHRBCPB2CPB1ITGB3 | |
| Histidine SCHEMBL342891 | 0.86 | CYP3A4 (0.40) | CYP3A4SLC7A5ARG1BHMTBHMT2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120135931-A1 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) | 2012-05-31 | — | — | US | claimed |
| EP-2427487-A2 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | Natural Environment Research Council (GB) | 2012-03-14 | — | — | EP | claimed |
| WO-2010128285-A2 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) | 2010-11-11 | — | — | WO | claimed |
| US-20120135931-A1 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) | 2012-05-31 | — | — | US | disclosed |
| EP-2427487-A2 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | Natural Environment Research Council (GB) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128285-A2 | METHOD OF MODIFYING SERINE PROTEASE INHIBITORS | NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) | 2010-11-11 | — | — | WO | disclosed |