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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL924268 | 0.89 | TDP1 (0.52) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL2155140 | 0.83 | CYP3A4 (0.50) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL925065 | 0.77 | TSHR (0.52) | ALDH1A1TP53ALOX15TSHRSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL999405 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL6655727 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL625329 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL21831591 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL1128718 | 0.75 | PARP10 (0.50) | ALDH1A1TDP1CYP3A4L3MBTL1MAPT | |
| SCHEMBL7647702 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4MAPK1TP53 | |
| SCHEMBL2497217 | 0.74 | HPGD (0.58) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022191865-A1 | HAIR COLORANT ASSESSMENT, SELECTION AND FORMULATION SYSTEM | Innovative Beauty LLC (US) | 2022-09-15 | — | — | WO | disclosed |
| US-20220283032-A1 | Hair Colorant Assessment, Selection And Formulation System | Innovative Beauty LLC (US) | 2022-09-08 | — | — | US | disclosed |
| US-11378457-B1 | Hair colorant assessment, selection and formulation system | Innovative Beauty LLC (US) | 2022-07-05 | — | — | US | disclosed |
| US-11137291-B1 | Hair colorant assessment, selection and formulation system | Innovative Beauty LLC (US) | 2021-10-05 | — | — | US | disclosed |
| US-6695888-B2 | COMPLEX TRANSITION METAL HAIR DYE | UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. | 2004-02-24 | — | — | US | disclosed |
| WO-2004014328-A1 | ONE STEP HAIR COLORING COMPOSITIONS COMPRISING WATER SOLUBLE CARBONATE RELEASING SALTS | UNILEVER PLC (GB) | 2004-02-19 | — | — | WO | disclosed |
| US-20040019980-A1 | One step hair coloring compositions using salts | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2004-02-05 | — | — | US | disclosed |
| WO-2003053386-A1 | ENHANCED COLOUR DEPOSITION FOR HAIR WITH SEQUESTERING AGENTS | UNILEVER PLC (GB) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003047542-A1 | HAIR BLEACHING AND COLOURING COMPOSITION WHICH COMPRISE TRASITION METAL CATALYSTS | UNILEVER PLC (GB) | 2003-06-12 | — | — | WO | disclosed |
| US-20030066140-A1 | Transition metal complexes as dye forming catalysts in hair coloring compositions | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2003-04-10 | — | — | US | disclosed |
| WO-2003011237-A2 | TRANSITION METAL COMPLEXES AS DYE FORMING CATALYSTS IN HAIR COLORING COMPOSITIONS | UNILEVER PLC (GB) | 2003-02-13 | — | — | WO | disclosed |