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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 2/20 | 0.35 |
| ▸ | CCR3 | P51677 | 4/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.33 |
| ▸ | UBE2M | P61081 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 SCHEMBL3691824 | 0.92 | ACKR3 (0.37) | PARP1ACKR3MAOBACP1CCR3 | |
| Bicarbonate SCHEMBL3692749 | 0.90 | ACP1 (0.36) | PARP1ACKR3MAOBACP1CCR3 | |
| SCHEMBL1178468 | 0.88 | PARP1 (0.37) | PARP1ACKR3MAOBMAPTTHRB | |
| SCHEMBL1178473 | 0.84 | PARP1 (0.34) | PARP1ACKR3MAOB | |
| Bicarbonate SCHEMBL1080702 | 0.83 | PTGES (0.48) | ACKR3MAOBCCR3MAPT | |
| SCHEMBL1069711 | 0.82 | KMT2A (0.37) | MAOBTHRB | |
| Bicarbonate SCHEMBL1080950 | 0.82 | PTGES (0.38) | ACKR3MAOBACP1CCR3HTR1A | |
| Bicarbonate SCHEMBL3690871 | 0.82 | MAOB (0.33) | MAOBCCR3UBE2MDCUN1D1 | |
| SCHEMBL1081126 | 0.81 | PTGES (0.40) | PARP1ACKR3MAOB | |
| SCHEMBL1178371 | 0.81 | PARP1 (0.44) | PARP1ACKR3MAOBMAPTGPR142 |
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-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |