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 | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DPP4 | P27487 | 2/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30566616 | 0.83 | HPGD (0.56) | HPGDALDH1A1HSD17B10DPP4MEN1 | |
| SCHEMBL3563805 | 0.80 | HPGD (0.56) | HPGDALDH1A1HSD17B10DPP4CA12 | |
| SCHEMBL94847 | 0.80 | HPGD (0.56) | HPGDALDH1A1HSD17B10DPP4 | |
| SCHEMBL22305103 | 0.77 | CA12 (0.71) | HPGDALDH1A1HSD11B1CA12CA1 | |
| SCHEMBL6985975 | 0.77 | CA12 (0.71) | HPGDALDH1A1HSD11B1CA12CA1 | |
| SCHEMBL23236678 | 0.76 | ALDH1A1 (0.62) | HPGDALDH1A1HSD17B10DPP4MEN1 | |
| SCHEMBL4669126 | 0.75 | DPP4 (0.45) | HPGDALDH1A1HSD17B10DPP4DPP7 | |
| SCHEMBL3047748 | 0.74 | CA12 (0.63) | ALDH1A1HSD11B1CA12CA1CA2 | |
| SCHEMBL31334408 | 0.73 | HPGD (0.76) | HPGDALDH1A1HSD11B1CA12CA1 | |
| SCHEMBL643480 | 0.73 | ALDH1A1 (0.69) | HPGDALDH1A1HSD11B1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1252163-B1 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2003-09-24 | — | — | EP | disclosed |
| EP-1252163-A2 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001057042-A2 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2001-08-09 | — | — | WO | disclosed |