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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL368477 | 0.86 | — | — | |
| Bicarbonate SCHEMBL27363994 | 0.84 | MMP1 (0.40) | MMP1MMP2MMP3MMP9EPHX1 | |
| Bromide SCHEMBL28821485 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1098135 | 0.84 | — | — | |
| Acetic Acid SCHEMBL3615416 | 0.83 | MMP1 (0.39) | MMP1MMP2MMP3MMP9EPHX1 | |
| Guanidine SCHEMBL28205590 | 0.81 | CYP1A2 (0.39) | MMP1MMP2MMP3MMP9EPHX1 | |
| Sulfuric Acid SCHEMBL10930716 | 0.80 | ALOX15 (0.53) | MMP1MMP2MMP3MMP9EPHX1 | |
| SCHEMBL27759183 | 0.77 | MEN1 (0.36) | MMP1MMP2MMP3MMP9EPHX1 | |
| Acetamide SCHEMBL27620721 | 0.74 | EPHX1 (0.48) | MMP2EPHX1KMT2AALOX15SMN1; SMN2 | |
| SCHEMBL15295706 | 0.73 | PAOX (0.39) | KMT2AALOX15SMN1; SMN2MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1040210-C | Fused benzazepine derivative and pharmaceutical composition containing the same | YAMANOUCHI PHARMA CO LTD (JP) | 1998-10-14 | — | — | CN | disclosed |
| CN-1127508-A | Fused benzazepine * derivatives and pharmaceutical compositions thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1996-07-24 | — | — | CN | disclosed |