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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 SCHEMBL9899621 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2ACKR3TP53MAPTPARP1 | |
| Bicarbonate SCHEMBL16735655 | 0.91 | FAAH (0.44) | ACKR3FAAHHTR1AHTR1DHTR1B | |
| Bicarbonate SCHEMBL16735564 | 0.90 | ACKR3 (0.47) | ACKR3FAAHALDH1A1CCR3 | |
| Bicarbonate SCHEMBL9900300 | 0.90 | ALDH1A1 (0.43) | SMN1; SMN2ACKR3MAPTFAAHALDH1A1 | |
| Bicarbonate SCHEMBL16735571 | 0.90 | NLRP3 (0.41) | ACKR3ALDH1A1HTR1AHTR1DHTR1B | |
| Bicarbonate SCHEMBL16735613 | 0.86 | S1PR1 (0.49) | ACKR3MAPTFAAHMEN1KMT2A | |
| Bicarbonate SCHEMBL16735611 | 0.84 | KLKB1 (0.35) | SMN1; SMN2MAPTPARP1ALDH1A1UBE2M | |
| SCHEMBL10006523 | 0.84 | MAPT (0.40) | SMN1; SMN2ACKR3TP53MAPTPARP1 | |
| SCHEMBL9899617 | 0.84 | MAPT (0.40) | SMN1; SMN2ACKR3TP53MAPTPARP1 | |
| SCHEMBL9899772 | 0.83 | HDAC3 (0.40) | SMN1; SMN2ACKR3TP53MAPTPARP1 |
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 |