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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CASP1 | P29466 | 1/20 | 0.67 |
| ▸ | CASP7 | P55210 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
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 SCHEMBL9347979 | 0.97 | ALOX15 (0.62) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Oxalic Acid SCHEMBL7625758 | 0.90 | ALOX15 (0.62) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Carbamic Acid SCHEMBL10582599 | 0.90 | ALOX15 (0.62) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL5481727 | 0.89 | CYP3A4 (0.83) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL296759 | 0.89 | CYP3A4 (0.83) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Carbamic Acid SCHEMBL28862321 | 0.88 | ALOX15 (0.59) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Acetic Acid SCHEMBL7113663 | 0.88 | CYP3A4 (0.59) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Acetic Acid SCHEMBL9167204 | 0.88 | CYP3A4 (0.59) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Acetic Acid SCHEMBL8748134 | 0.88 | CYP3A4 (0.59) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| Bicarbonate SCHEMBL28825703 | 0.87 | ALOX15 (0.50) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100366233-C | Hair conditioning compositions and application in hair dye composition thereof | PROCTER & GAMBLE (US) | 2008-02-06 | — | — | CN | disclosed |
| US-6986886-B2 | Hair conditioning compositions and their use in hair coloring compositions | THE PROCTER & GAMBLE COMPANY (US) | 2006-01-17 | — | — | US | disclosed |
| US-20040158941-A1 | Hair colouring and conditioning compositions | THE PROCTER & GAMBLE COMPANY (US) | 2004-08-19 | — | — | US | disclosed |
| US-20040158938-A1 | Method for colouring hair | THE PROCTER & GAMBLE COMPANY | 2004-08-19 | — | — | US | disclosed |
| CN-1479606-A | Hair conditioning composition and use thereof in hair dyeing compositions | 宝洁公司 | 2004-03-03 | — | — | CN | disclosed |
| US-20030219399-A1 | Hair conditioning compositions and their use in hair colouring compositions | THE PROCTER & GAMBLE COMPANY (US) | 2003-11-27 | — | — | US | disclosed |
| EP-1341502-A2 | HAIR CONDITIONING COMPOSITIONS AND THEIR USE IN HAIR COLOURING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2003-09-10 | — | — | EP | disclosed |
| EP-0876134-B1 | HAIR COLORING COMPOSITIONS | PROCTER & GAMBLE (US) | 2003-09-03 | — | — | EP | disclosed |
| US-20030113286-A1 | Hair colouring and conditioning compositions | THE PROCTER & GAMBLE COMPANY (US) | 2003-06-19 | — | — | US | disclosed |
| US-20030110579-A1 | Method for colouring hair | THE PROCTER & GAMBLE COMPANY (US) | 2003-06-19 | — | — | US | disclosed |
| EP-0869769-A1 | HAIR BLEACHING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1998027943-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998027942-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998027944-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998027941-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998027945-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1997024105-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-07-10 | — | — | WO | disclosed |
| WO-1997024106-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-07-10 | — | — | WO | disclosed |
| WO-1997024107-A1 | HAIR COLORING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-07-10 | — | — | WO | disclosed |
| WO-1997024108-A1 | HAIR BLEACHING COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 1997-07-10 | — | — | 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 (5 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-20030110579-A1 | Method for colouring hair | COX5B, SHH, DNMT3A | ALOX15 3370/4885CYP3A4 1944/4885CASP1 2806/4885 |
| US-20030219399-A1 | Hair conditioning compositions and their use in hair colouring compositions | CD99, HLA-C, PLOD1 | ALOX15 2461/4885CYP3A4 4370/4885CASP1 3933/4885 |
| US-20040158941-A1 | Hair colouring and conditioning compositions | FNIP1, CUTA, SHH | ALOX15 1443/4885CYP3A4 4246/4885CASP1 1369/4885 |
| US-20040158938-A1 | Method for colouring hair | COX5B, SHH, DNMT3A | ALOX15 3370/4885CYP3A4 1944/4885CASP1 2806/4885 |
| US-20030113286-A1 | Hair colouring and conditioning compositions | FNIP1, CUTA, SHH | ALOX15 1443/4885CYP3A4 4246/4885CASP1 1369/4885 |
“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.