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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.49 |
| ▸ | KDM6B | O15054 | 2/20 | 0.49 |
| ▸ | KDM5C | P41229 | 2/20 | 0.49 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.49 |
| ▸ | KDM3A | Q9Y4C1 | 2/20 | 0.49 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.45 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 SCHEMBL580921 | 1.00 | KDM4E (0.49) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| Hydrochloric Acid SCHEMBL580962 | 0.95 | KDM4E (0.53) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| Hydrochloric Acid SCHEMBL581889 | 0.85 | KDM4E (0.52) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| Hydrochloric Acid SCHEMBL581125 | 0.79 | KDM4E (0.46) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| SCHEMBL581356 | 0.78 | KDM4C (0.58) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| Hydrochloric Acid SCHEMBL582068 | 0.77 | SYK (0.36) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| SCHEMBL14976243 | 0.76 | KDM4C (0.51) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| SCHEMBL28490524 | 0.75 | KDM4C (0.61) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| SCHEMBL581753 | 0.75 | KDM4E (0.55) | KDM4EKDM4CKDM6BKDM5CKDM2A | |
| SCHEMBL30772297 | 0.75 | KDM4E (0.55) | KDM4EKDM4CKDM6BKDM5CKDM2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2417131-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010117323-A1 | METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |