Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL647480 | 1.00 | HTT (0.41) | HTTKMT2AGAAUSP2SMN1; SMN2 | |
| SCHEMBL170696 | 0.90 | — | — | |
| Formic Acid SCHEMBL4720674 | 0.88 | HTT (0.35) | HTTKMT2AGAAUSP2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10559252 | 0.87 | — | — | |
| SCHEMBL7548251 | 0.85 | TSHR (0.33) | HTTKMT2AGAASMN1; SMN2TSHR | |
| Sulfuric Acid SCHEMBL7198251 | 0.84 | GAA (0.35) | HTTKMT2AGAAUSP2SMN1; SMN2 | |
| SCHEMBL11665511 | 0.81 | GAA (0.36) | KMT2AGAASMN1; SMN2TSHRMAPT | |
| Trimethylammonium SCHEMBL7199365 | 0.81 | MAPT (0.32) | HTTGAATSHRMAPTALDH1A1 | |
| Bicarbonate SCHEMBL7051130 | 0.79 | FAAH (0.41) | HTTKMT2AGAASMN1; SMN2TSHR | |
| Diethanolamine SCHEMBL11848123 | 0.76 | KDM4E (0.37) | HTTKMT2AUSP2SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8119799-B2 | Method for the production of polyisocyanates comprising isocyanurate groups and use therof | BASF AKTIENGESELLSCHAFT (DE) | 2012-02-21 | — | — | US | disclosed |
| EP-1727842-B1 | METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND USE THEREOF | BASF SE (DE) | 2008-12-17 | — | — | EP | disclosed |
| US-20070197759-A1 | Method for the production of polyisocyanates comprising isocyanurate groups and use therof | BASF AKTIENGESELLSCHAFT (DE) | 2007-08-23 | — | — | US | disclosed |