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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 7/20 | 0.59 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | F10 | P00742 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
| ▸ | LDHB | P07195 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 SCHEMBL28763043 | 0.99 | HTT (0.60) | HTTNPC1RAB9AKMT2AF10 | |
| SCHEMBL27674823 | 0.95 | HTT (0.59) | HTTNPC1RAB9AKMT2AF10 | |
| Bicarbonate SCHEMBL3549019 | 0.86 | KMT2A (0.62) | HTTNPC1RAB9AKMT2AMAPT | |
| SCHEMBL6988691 | 0.85 | HTT (0.67) | HTTNPC1RAB9AKMT2AF10 | |
| SCHEMBL4162412 | 0.82 | ALDH1A1 (0.51) | HTTNPC1RAB9AKMT2AMAPT | |
| SCHEMBL20922083 | 0.82 | HTT (0.66) | HTTNPC1RAB9AKMT2AMAPT | |
| Bicarbonate SCHEMBL3549893 | 0.81 | MAPT (0.60) | HTTNPC1RAB9AKMT2AMAPT | |
| SCHEMBL4500948 | 0.81 | HTT (0.62) | HTTNPC1RAB9AKMT2AF10 | |
| SCHEMBL4166402 | 0.80 | SMN1; SMN2 (0.61) | HTTNPC1RAB9AKMT2AMAPT | |
| SCHEMBL5216754 | 0.80 | HTT (0.63) | HTTNPC1RAB9AKMT2AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655652-B2 | 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis | ASTRAZENECA AB (SE) | 2010-02-02 | — | — | US | disclosed |
| US-20070161615-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | disclosed |
| EP-1748999-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | AstraZeneca AB (SE) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005075461-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070161615-A1 | Chemical compounds | MKI67, PCNA, CCNI | HTT 3893/4885NPC1 3075/4885RAB9A 3109/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.