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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 7/20 | 0.48 |
| ▸ | HTR1E | P28566 | 3/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12872141 | 0.92 | PTGES (0.50) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL1080560 | 0.90 | PTGES (0.42) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1079129 | 0.90 | PTGES (0.60) | PTGESHTR1ES1PR3MEN1LMNA | |
| Bicarbonate SCHEMBL1080950 | 0.89 | PTGES (0.38) | PTGESCCR3MAOBACKR3PRKAA2 | |
| SCHEMBL12872122 | 0.89 | PTGES (0.45) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1193765 | 0.89 | PTGES (0.55) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1178561 | 0.89 | PTGES (0.46) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL12871669 | 0.89 | PTGES (0.46) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1178961 | 0.88 | PTGES (0.46) | PTGESHTR1ES1PR3MEN1LMNA | |
| SCHEMBL1079856 | 0.88 | PTGES (0.45) | PTGESHTR1ES1PR3MEN1LMNA |
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-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| EP-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |