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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SENP5 | Q96HI0 | 1/20 | 0.40 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.40 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7430376 | 0.92 | ACKR3 (0.48) | POLBALDH1A1MAPTLMNASMN1; SMN2 | |
| Bicarbonate SCHEMBL7424539 | 0.90 | POLB (0.47) | POLBALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL8206201 | 0.90 | MAPT (0.46) | POLBALDH1A1MAPTLMNASMN1; SMN2 | |
| Bicarbonate SCHEMBL7420135 | 0.90 | POLB (0.51) | POLBALDH1A1MAPTLMNASMN1; SMN2 | |
| Bicarbonate SCHEMBL7890842 | 0.87 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPSR1KDM4EMEN1 | |
| SCHEMBL7424534 | 0.82 | MAPT (0.47) | POLBALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL7420131 | 0.81 | AKR1B1 (0.48) | POLBALDH1A1MAPTRXFP1ACKR3 | |
| Bicarbonate SCHEMBL7886928 | 0.81 | POLB (0.48) | POLBALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL7889384 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTLMNASMN1; SMN2ACKR3 | |
| Bicarbonate SCHEMBL7429705 | 0.81 | SMN1; SMN2 (0.45) | POLBALDH1A1MAPTLMNASMN1; SMN2 |
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 |