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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 2/20 | 0.39 |
| ▸ | EDNRA | P25101 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.33 |
| ▸ | MMP3 | P08254 | 3/20 | 0.33 |
| ▸ | MMP13 | P45452 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4632109 | 0.95 | EDNRB (0.43) | EDNRBEDNRAGALR3TP53NPC1 | |
| Bicarbonate SCHEMBL7338623 | 0.81 | EDNRB (0.38) | EDNRBEDNRAGALR3TP53NPC1 | |
| SCHEMBL4632432 | 0.80 | MAPT (0.36) | TP53NPC1MEN1KMT2AMMP2 | |
| SCHEMBL7086343 | 0.77 | EDNRA (0.38) | EDNRATP53MEN1KMT2AMAPT | |
| Bicarbonate SCHEMBL8501481 | 0.77 | EDNRB (0.39) | EDNRBEDNRAGALR3TP53NPC1 | |
| SCHEMBL4632118 | 0.76 | EDNRB (0.42) | EDNRBEDNRAGALR3TP53NPC1 | |
| SCHEMBL6772980 | 0.76 | EDNRB (0.41) | EDNRBEDNRA | |
| SCHEMBL8056643 | 0.75 | EDNRA (0.43) | EDNRBEDNRATP53KMT2AMAPT | |
| SCHEMBL4632113 | 0.72 | EDNRB (0.42) | EDNRBEDNRAGALR3TP53NPC1 | |
| SCHEMBL6772649 | 0.71 | TDP1 (0.34) | MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962490-A | Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0699191-A1 | SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994027979-A1 | SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | IMMUNOPHARMACEUTICS, INC. (US) | 1994-12-08 | — | — | WO | disclosed |