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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 SCHEMBL5762936 | 0.97 | L3MBTL1 (0.61) | L3MBTL1KDM4ETP53TSHRPPARG | |
| Bicarbonate SCHEMBL5762935 | 0.97 | L3MBTL1 (0.61) | L3MBTL1KDM4ETP53TSHRPPARG | |
| SCHEMBL1417060 | 0.95 | L3MBTL1 (0.66) | L3MBTL1KDM4ETP53TSHRPPARG | |
| SCHEMBL385247 | 0.83 | KDM4E (0.62) | L3MBTL1KDM4ETP53TSHRPPARG | |
| SCHEMBL4698008 | 0.82 | KDM4E (0.70) | KDM4ETP53TSHRALDH1A1HTT | |
| SCHEMBL15459823 | 0.81 | ALDH1A1 (0.67) | L3MBTL1KDM4ETP53TSHRALDH1A1 | |
| SCHEMBL4441360 | 0.81 | SMN1; SMN2 (0.73) | KDM4EALDH1A1SMN1; SMN2KMT2AGAA | |
| SCHEMBL7984700 | 0.79 | KDM4E (0.59) | L3MBTL1KDM4ETP53TSHRALDH1A1 | |
| SCHEMBL4376838 | 0.79 | KDM4E (0.68) | KDM4ETP53TSHRALDH1A1HTT | |
| SCHEMBL10480077 | 0.79 | KDM4E (0.65) | KDM4ETP53TSHRALDH1A1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641764-A1 | 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS | Novartis AG (CH) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005009973-A1 | 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS | NOVARTIS AG (CH) | 2005-02-03 | — | — | WO | disclosed |