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 | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 8/20 | 0.47 |
| ▸ | PTGES | O14684 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTR1E | P28566 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | ACP1 | P24666 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL16735555 | 1.00 | ACKR3 (0.47) | ACKR3PTGESMEN1LMNAHTR1E | |
| Bicarbonate SCHEMBL16735577 | 1.00 | ACKR3 (0.47) | ACKR3PTGESMEN1LMNAHTR1E | |
| SCHEMBL10006452 | 0.86 | ACKR3 (0.45) | ACKR3PTGESMEN1LMNAHTR1E | |
| SCHEMBL10006567 | 0.86 | ACKR3 (0.45) | ACKR3PTGESMEN1LMNAHTR1E | |
| SCHEMBL10006477 | 0.86 | ACKR3 (0.45) | ACKR3PTGESMEN1LMNAHTR1E | |
| Bicarbonate SCHEMBL16735625 | 0.85 | PTGES (0.59) | ACKR3PTGESMEN1LMNAHTR1E | |
| Bicarbonate SCHEMBL16735565 | 0.85 | PTGES (0.59) | ACKR3PTGESMEN1LMNAHTR1E | |
| SCHEMBL11932110 | 0.79 | ACKR3 (0.41) | ACKR3PTGESMEN1KMT2APTGS2 | |
| Bicarbonate SCHEMBL16735642 | 0.77 | HTR1E (0.63) | ACKR3PTGESMEN1LMNAHTR1E | |
| Bicarbonate SCHEMBL16735614 | 0.77 | HTR1E (0.53) | ACKR3PTGESMEN1LMNAHTR1E |
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 |