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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8220300 | 0.92 | MAPT (0.48) | MAPK1GFERKMT2AMEN1POLB | |
| Bicarbonate SCHEMBL7881463 | 0.89 | ALDH1A1 (0.53) | KMT2AMEN1POLBALDH1A1MAPT | |
| Bicarbonate SCHEMBL7890878 | 0.88 | POLB (0.51) | MAPK1KMT2AMEN1POLBALDH1A1 | |
| Bicarbonate SCHEMBL7425820 | 0.87 | KDM4E (0.53) | KMT2AMEN1POLBALDH1A1MAPT | |
| Bicarbonate SCHEMBL7888375 | 0.85 | MAPK1 (0.57) | MAPK1GFERKMT2AMEN1ALDH1A1 | |
| SCHEMBL8200033 | 0.83 | TDP1 (0.55) | MAPK1KMT2AMEN1POLBALDH1A1 | |
| SCHEMBL7881605 | 0.80 | MAPT (0.52) | KMT2AMEN1ALDH1A1MAPTRAB9A | |
| SCHEMBL8198891 | 0.80 | TDP1 (0.53) | MAPK1KMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL8200327 | 0.80 | KMT2A (0.52) | KMT2AMEN1POLBALDH1A1MAPT | |
| SCHEMBL8206933 | 0.79 | LMNA (0.57) | MAPK1KMT2AMEN1POLBALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934301-B1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 2001-06-20 | — | — | EP | disclosed |
| 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 |