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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
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 SCHEMBL1707062 | 1.00 | PIN1 (0.54) | PIN1ABCG2EGFRF10KMT2A | |
| Bicarbonate SCHEMBL1707061 | 0.97 | PIN1 (0.53) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL1706682 | 0.94 | PIN1 (0.59) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL12519771 | 0.82 | PIN1 (0.57) | PIN1ABCG2F10KMT2AMAPT | |
| SCHEMBL21358342 | 0.82 | PIN1 (0.57) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL16370549 | 0.80 | PIN1 (0.64) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL30672838 | 0.80 | PIN1 (0.64) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL1707043 | 0.79 | PIN1 (0.58) | PIN1EGFRKMT2AMAPTLMNA | |
| SCHEMBL23243727 | 0.76 | ABCG2 (0.54) | PIN1ABCG2EGFRF10KMT2A | |
| SCHEMBL10847463 | 0.75 | LMNA (0.56) | PIN1ABCG2EGFRF10KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440559-B1 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | DANA FARBER CANCER INST INC (US) | 2018-01-10 | — | — | EP | disclosed |
| US-20120094999-A1 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| EP-2440559-A2 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | Dana-Farber Cancer Institute, Inc. (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010129053-A2 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | DANA FARBER CANCER INSTITUTE (US) | 2010-11-11 | — | — | 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-20120094999-A1 | EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | EGFR, ERBB2, ERBB4 | PIN1 264/4885ABCG2 722/4885EGFR 1/4885 |
“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.