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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 4/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | UGCG | Q16739 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2008247 | 0.95 | CFTR (0.50) | CFTRCYP1A2CYP2C9ALDH1A1EGFR | |
| SCHEMBL2008596 | 0.82 | RAB9A (0.44) | CYP1A2CYP2C9ALDH1A1KDM4EMRGPRX4 | |
| SCHEMBL1547094 | 0.80 | TDP1 (0.59) | CFTRCYP1A2CYP2C9ALDH1A1EGFR | |
| SCHEMBL2006511 | 0.79 | EGFR (0.46) | CFTRALDH1A1EGFRKDM4EFFAR4 | |
| SCHEMBL25247535 | 0.79 | FFAR4 (0.56) | CFTRCYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL20505135 | 0.78 | CYP1A2 (0.50) | CFTRCYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL12244969 | 0.76 | MAPT (0.56) | CFTRALDH1A1EGFRKDM4ENR1H4 | |
| SCHEMBL3784216 | 0.74 | KDM4E (0.46) | CFTRCYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL3152664 | 0.74 | EGFR (0.40) | CFTRALDH1A1EGFRKDM4ETDP1 | |
| SCHEMBL17708165 | 0.74 | CFTR (0.56) | CFTRALDH1A1EGFRKDM4ERAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1753727-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005110996-A1 | NOVEL CIS-IMIDAZOLINES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-11-24 | — | — | WO | disclosed |