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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 SCHEMBL5708571 | 1.00 | CYP1A2 (0.57) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Bicarbonate SCHEMBL29278212 | 0.96 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Bicarbonate SCHEMBL28310156 | 0.96 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Bicarbonate SCHEMBL6846227 | 0.93 | CYP1A2 (0.52) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Oxalic Acid SCHEMBL30165185 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Carbamic Acid SCHEMBL6019094 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Carbamic Acid SCHEMBL63902 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Oxalic Acid SCHEMBL30165152 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Carbamic Acid SCHEMBL21315591 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A | |
| Oxalic Acid SCHEMBL22468119 | 0.89 | CYP1A2 (0.55) | CYP1A2LMNAPOLBADORA3ADORA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1657320-B1 | Use of a fluid to prepare iron and steel based mixtures | ZSCHIMMER & SCHWARZ GMBH & CO (DE) | 2008-02-27 | — | — | EP | disclosed |
| EP-1666616-B1 | Use of a fluid to prepare hardmetals | ZSCHIMMER & SCHWARZ GMBH & CO (DE) | 2007-11-21 | — | — | EP | disclosed |
| EP-1666616-A1 | Fluid and its use to prepare hardmetals | Zschimmer & Schwarz GmbH & Co KG Chemische Fabriken (DE) | 2006-06-07 | — | — | EP | disclosed |
| EP-1657320-A1 | Fluid and its use to prepare iron and steel based mixtures | Zschimmer & Schwarz GmbH & Co KG Chemische Fabriken (DE) | 2006-05-17 | — | — | EP | disclosed |