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 | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.55 |
| ▸ | CTSK | P43235 | 11/20 | 0.55 |
| ▸ | SDHB | P21912 | 4/20 | 0.39 |
| ▸ | BPTF | Q12830 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 SCHEMBL5548104 | 1.00 | CTSS (0.55) | CTSSCTSKSDHBBPTFRXRA | |
| Bicarbonate SCHEMBL5548103 | 0.97 | CTSK (0.54) | CTSSCTSKSDHBBPTFRXRA | |
| SCHEMBL4447813 | 0.93 | CTSK (0.61) | CTSSCTSKSDHBBPTFMEN1 | |
| SCHEMBL4444428 | 0.71 | CTSK (1.00) | CTSSCTSK | |
| SCHEMBL5548112 | 0.68 | CTSK (0.93) | CTSSCTSK | |
| SCHEMBL13707277 | 0.65 | CTSK (0.49) | CTSSCTSKSDHBBPTFRXRA | |
| SCHEMBL1178799 | 0.65 | KDM4E (0.42) | CTSSCTSKSDHBBPTFMEN1 | |
| SCHEMBL4442546 | 0.65 | CTSK (0.62) | CTSSCTSKSDHBMEN1S1PR4 | |
| SCHEMBL3626772 | 0.63 | CTSS (0.50) | CTSSCTSKRXRARXRBRXRG | |
| SCHEMBL25094075 | 0.63 | RXRA (0.57) | CTSSCTSKRXRARXRBRXRG |
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-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |