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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7429703 | 0.91 | MMP13 (0.43) | SMN1; SMN2ALDH1A1CYP2C19MAPTCYP1A2 | |
| Bicarbonate SCHEMBL7890842 | 0.91 | ALDH1A1 (0.50) | SMN1; SMN2RAB9AHDAC6ALDH1A1CYP2C19 | |
| Bicarbonate SCHEMBL7420725 | 0.88 | POLB (0.49) | SMN1; SMN2POLBRAB9AHDAC6ALDH1A1 | |
| Bicarbonate SCHEMBL7427368 | 0.88 | SMN1; SMN2 (0.45) | SMN1; SMN2POLBRAB9AHDAC6ALDH1A1 | |
| SCHEMBL8250085 | 0.87 | REV1 (0.45) | SMN1; SMN2POLBALDH1A1CYP2C19MAPT | |
| Bicarbonate SCHEMBL7886928 | 0.85 | POLB (0.48) | SMN1; SMN2POLBRAB9AALDH1A1KMT2A | |
| Bicarbonate SCHEMBL7881463 | 0.84 | ALDH1A1 (0.53) | SMN1; SMN2POLBRAB9AALDH1A1MAPT | |
| Bicarbonate SCHEMBL7421198 | 0.82 | TSHR (0.44) | RAB9AKMT2ALMNAREV1 | |
| SCHEMBL7890839 | 0.81 | ALDH1A1 (0.45) | POLBALDH1A1CYP2C19MAPTCYP3A4 | |
| Bicarbonate SCHEMBL7890931 | 0.81 | SMN1; SMN2 (0.51) | SMN1; SMN2POLBRAB9AALDH1A1CYP2C19 |
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-0934301-A1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016521-A1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 1998-04-23 | — | — | WO | disclosed |