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 | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 5/20 | 0.35 |
| ▸ | PPARD | Q03181 | 5/20 | 0.35 |
| ▸ | PPARA | Q07869 | 5/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL17417750 | 0.92 | SPHK2 (0.48) | SPHK2SPHK1HDAC3HDAC1HDAC2 | |
| SCHEMBL1230494 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL7624057 | 0.85 | SPHK2 (0.57) | SPHK2SPHK1HDAC3HDAC1HDAC2 | |
| Water SCHEMBL28096699 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1101765 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1886843 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL4508427 | 0.84 | SPHK2 (0.41) | SPHK2SPHK1HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL29287940 | 0.80 | SPHK2 (0.82) | SPHK2SPHK1CES2CES1TSHR | |
| Bicarbonate SCHEMBL6620515 | 0.79 | — | — | |
| Methoxymethane SCHEMBL6965932 | 0.78 | SPHK2 (0.50) | SPHK2SPHK1CES2CES1TSHR |
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-1097920-B1 | Intermediate for condensed benzazepine derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 2004-09-22 | — | — | EP | disclosed |
| EP-0709386-B1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMA CO LTD (JP) | 2003-05-07 | — | — | EP | disclosed |
| EP-1097920-A1 | Intermediate for condensed benzazepine derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2001-05-09 | — | — | EP | disclosed |
| EP-0709386-A1 | FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-05-01 | — | — | EP | disclosed |