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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | UBE2M | P61081 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | 0.92 | KMT2A (0.41) | KMT2ASMN1; SMN2L3MBTL1KDM4ETDP1 | |
| Bicarbonate SCHEMBL16735651 | 0.92 | KMT2A (0.41) | KMT2ASMN1; SMN2L3MBTL1KDM4ETDP1 | |
| Bicarbonate SCHEMBL9899636 | 0.91 | KMT2A (0.41) | KMT2ASMN1; SMN2L3MBTL1KDM4ETDP1 | |
| Bicarbonate SCHEMBL16735568 | 0.90 | KMT2A (0.39) | KMT2ASMN1; SMN2L3MBTL1KDM4ETDP1 | |
| Bicarbonate SCHEMBL16735653 | 0.87 | KMT2A (0.41) | KMT2AL3MBTL1KDM4ELMNAMAPT | |
| Bicarbonate SCHEMBL16735627 | 0.85 | FFAR2 (0.38) | UBE2MDCUN1D1NPSR1 | |
| SCHEMBL6901564 | 0.85 | L3MBTL1 (0.46) | KMT2ASMN1; SMN2L3MBTL1LMNAMAPT | |
| SCHEMBL10006542 | 0.84 | SMN1; SMN2 (0.43) | KMT2ASMN1; SMN2L3MBTL1KDM4ETDP1 | |
| Bicarbonate SCHEMBL16735547 | 0.84 | PTGES (0.40) | KMT2ASMN1; SMN2LMNAMEN1 | |
| Bicarbonate SCHEMBL16735549 | 0.84 | FFAR2 (0.38) | LMNAALDH1A1 |
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 1 patent. 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 |