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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA3 | P07451 | 1/20 | 0.60 |
| ▸ | CA6 | P23280 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL11668337 | 0.91 | CA2 (0.58) | CA2CA1CA12CA3CA6 | |
| 4-Cyanophenol SCHEMBL17164639 | 0.89 | CA2 (0.80) | CA2CA1CA12CA3CA6 | |
| Benzonitrile SCHEMBL28966094 | 0.88 | TSHR (0.78) | CA2CA1CA12CA3CA6 | |
| Benzonitrile SCHEMBL30291267 | 0.88 | TSHR (0.78) | CA2CA1CA12CA3CA6 | |
| Bicarbonate SCHEMBL22529849 | 0.87 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| Bicarbonate SCHEMBL11600216 | 0.85 | ALDH1A1 (0.62) | CA2CA1CA12CA3CA6 | |
| SCHEMBL2163556 | 0.84 | CA2 (0.64) | CA2CA1CA12CA3CA6 | |
| SCHEMBL216706 | 0.84 | CA2 (0.64) | CA2CA1CA12CA3CA6 | |
| SCHEMBL2503454 | 0.83 | CA2 (0.69) | CA2CA1CA12CA3CA6 | |
| SCHEMBL45942 | 0.83 | CA2 (0.69) | CA2CA1CA12CA3CA6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4021378-A | POLYURETHANES FROM CYCLIC NITRILE CARBONATE | ATLANTIC RICHFIELD COMPANY (US) | 1977-05-03 | — | — | US | disclosed |
| US-3960813-A | ADNC BLENDSADIPODI(NITRILE CARBONATE) | ATLANTIC RICHFIELD COMPANY (US) | 1976-06-01 | — | — | US | disclosed |
| US-3932354-A | Stabilization of thermoplastic polyurethanes derived from cyclic nitrile compounds | ATLANTIC RICHFIELD COMPANY (US) | 1976-01-13 | — | — | US | disclosed |
| US-3932361-A | Catalysts for the reaction of cyclic nitrile compounds with nucleophilic compounds | ATLANTIC RICHFIELD COMPANY (US) | 1976-01-13 | — | — | US | disclosed |