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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
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 SCHEMBL16735616 | 0.93 | KMT2A (0.41) | KMT2ASMN1; SMN2L3MBTL1PANK3TRPV1 | |
| Bicarbonate SCHEMBL16735635 | 0.91 | KMT2A (0.47) | KMT2ASMN1; SMN2L3MBTL1MEN1KDM4E | |
| Bicarbonate SCHEMBL16735568 | 0.90 | KMT2A (0.39) | KMT2ASMN1; SMN2L3MBTL1PANK3TRPV1 | |
| Bicarbonate SCHEMBL16735651 | 0.89 | KMT2A (0.41) | KMT2ASMN1; SMN2PDE2AL3MBTL1PANK3 | |
| Bicarbonate SCHEMBL16735653 | 0.88 | KMT2A (0.41) | KMT2AL3MBTL1MEN1KDM4EGAA | |
| SCHEMBL1931935 | 0.85 | KMT2A (0.39) | KMT2ASMN1; SMN2L3MBTL1HDAC1TRPV1 | |
| Bicarbonate SCHEMBL16735627 | 0.85 | FFAR2 (0.38) | UBE2MDCUN1D1CCR3 | |
| SCHEMBL1905649 | 0.85 | SMN1; SMN2 (0.37) | KMT2ASMN1; SMN2PDE2AL3MBTL1HDAC1 | |
| SCHEMBL1932256 | 0.85 | KMT2A (0.39) | KMT2ASMN1; SMN2L3MBTL1HDAC1TRPV1 | |
| SCHEMBL1932582 | 0.85 | KMT2A (0.39) | KMT2ASMN1; SMN2L3MBTL1HDAC1TRPV1 |
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-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |
| EP-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |