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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.44 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 5/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.38 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9277352 | 0.91 | IDO1 (0.50) | IDO1USP30PROKR1LNPEPTLR8 | |
| SCHEMBL22729999 | 0.86 | USP30 (0.48) | IDO1USP30 | |
| SCHEMBL22729998 | 0.86 | USP30 (0.48) | IDO1USP30 | |
| SCHEMBL29923686 | 0.86 | USP30 (0.48) | IDO1USP30 | |
| SCHEMBL23660437 | 0.86 | IDO1 (0.48) | IDO1USP30PROKR1TLR8TLR7 | |
| SCHEMBL22730013 | 0.86 | IDO1 (0.48) | IDO1USP30PROKR1TLR8TLR7 | |
| SCHEMBL22730012 | 0.86 | IDO1 (0.48) | IDO1USP30PROKR1TLR8TLR7 | |
| Cyanide SCHEMBL27912025 | 0.85 | IDO1 (0.47) | IDO1USP30PROKR1LNPEPTLR8 | |
| SCHEMBL21381378 | 0.85 | IDO1 (0.44) | IDO1USP30PROKR1LNPEPTLR8 | |
| SCHEMBL22730011 | 0.85 | IDO1 (0.58) | IDO1USP30PROKR1LNPEPTLR8 |
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-2646438-A1 | 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS | Merck Patent GmbH (DE) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012072200-A1 | 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2012-06-07 | — | — | WO | disclosed |