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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | MGAM | O43451 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | FLT3 | P36888 | 3/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | RORC | P51449 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7430283 | 0.93 | CNR2 (0.57) | CNR2CNR1MGAMMAPTLMNA | |
| Bicarbonate SCHEMBL7426152 | 0.92 | CNR2 (0.59) | CNR2CNR1MGAMMAPTLMNA | |
| SCHEMBL8207571 | 0.92 | CNR2 (0.58) | CNR2CNR1MGAMMAPTLMNA | |
| SCHEMBL7888443 | 0.85 | CNR2 (0.54) | CNR2CNR1MGAMMAPTLMNA | |
| Bicarbonate SCHEMBL7890907 | 0.85 | RORC (0.67) | CNR2CNR1MGAMMAPTKDM4E | |
| SCHEMBL8212352 | 0.84 | CNR2 (0.55) | CNR2CNR1MGAMMAPTLMNA | |
| SCHEMBL3801324 | 0.84 | RORC (0.68) | CNR2CNR1MGAMMAPTKDM4E | |
| Bicarbonate SCHEMBL7892976 | 0.83 | CNR2 (0.60) | CNR2CNR1MGAMMAPTLMNA | |
| SCHEMBL7420010 | 0.83 | KDM4E (0.67) | MGAMMAPTLMNAKDM4EALDH1A1 | |
| Bicarbonate SCHEMBL7421513 | 0.82 | ALDH1A1 (0.56) | CNR2CNR1MGAMMAPTKDM4E |
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 |