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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 SCHEMBL8913592 | 1.00 | EPHX1 (0.50) | EPHX1CES2CES1CYP1A2KMT2A | |
| Bicarbonate SCHEMBL4695324 | 1.00 | EPHX1 (0.50) | EPHX1CES2CES1CYP1A2KMT2A | |
| Methylcyclopentane SCHEMBL8746944 | 0.97 | EPHX1 (0.46) | EPHX1CES2CES1CYP1A2KMT2A | |
| Acetic Acid SCHEMBL4087167 | 0.91 | EPHX1 (0.48) | EPHX1CES2CES1CYP1A2KMT2A | |
| Acetic Acid SCHEMBL938460 | 0.91 | EPHX1 (0.48) | EPHX1CES2CES1CYP1A2KMT2A | |
| Acetic Acid SCHEMBL4093239 | 0.91 | EPHX1 (0.48) | EPHX1CES2CES1CYP1A2KMT2A | |
| Hydrogen Peroxide SCHEMBL2220600 | 0.90 | — | — | |
| Carbamic Acid SCHEMBL7466501 | 0.88 | EPHX1 (0.46) | EPHX1CES2CES1CYP1A2KMT2A | |
| SCHEMBL5728127 | 0.88 | EPHX1 (0.46) | EPHX1CES2CES1CYP1A2KMT2A | |
| SCHEMBL8964234 | 0.88 | EPHX1 (0.46) | EPHX1CES2CES1CYP1A2KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233868-B1 | 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES | BASF SE (DE) | 2018-11-07 | — | — | EP | disclosed |
| US-10079346-B2 | Heteroaromatic compounds for organic electronics | BASF SE (DE) | 2018-09-18 | — | — | US | disclosed |
| US-20170365791-A1 | HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS | BASF SE (DE) | 2017-12-21 | — | — | US | disclosed |
| EP-3233868-A1 | 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES | BASF SE (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096967-A1 | 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES | BASF SE (DE) | 2016-06-23 | — | — | 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 (2 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-10079346-B2 | Heteroaromatic compounds for organic electronics | OR10J3, OR51E2, OXER1 | EPHX1 1073/4885CES2 770/4885CES1 1469/4885 |
| US-20170365791-A1 | HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS | OR10J3, NR0B1, NR0B2 | EPHX1 826/4885CES2 555/4885CES1 1156/4885 |
“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.