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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 6/20 | 0.47 |
| ▸ | FFAR2 | O15552 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL16735655 | 0.91 | FAAH (0.44) | ACKR3DRD2FAAHCCR3 | |
| Bicarbonate SCHEMBL16735545 | 0.90 | SMN1; SMN2 (0.42) | ACKR3FAAHCCR3ALDH1A1 | |
| Bicarbonate SCHEMBL9900300 | 0.90 | ALDH1A1 (0.43) | ACKR3FAAHCCR3ALDH1A1LMNA | |
| Bicarbonate SCHEMBL9899621 | 0.90 | SMN1; SMN2 (0.42) | ACKR3FAAHCCR3ALDH1A1 | |
| Bicarbonate SCHEMBL16735613 | 0.90 | S1PR1 (0.49) | ACKR3FAAH | |
| Bicarbonate SCHEMBL16735571 | 0.88 | NLRP3 (0.41) | ACKR3ALDH1A1 | |
| Bicarbonate SCHEMBL16735549 | 0.85 | FFAR2 (0.38) | FFAR2SLC6A2SLC6A3ALDH1A1LMNA | |
| Bicarbonate SCHEMBL16735616 | 0.84 | KMT2A (0.41) | FFAR2SLC6A2SLC6A3CCR3LMNA | |
| Bicarbonate SCHEMBL16735661 | 0.84 | FFAR2 (0.39) | FFAR2LMNA | |
| Bicarbonate SCHEMBL16735627 | 0.84 | FFAR2 (0.38) | FFAR2SLC6A2SLC6A3CCR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |