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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060496 | 0.97 | MEN1 (0.37) | SMN1; SMN2MEN1CYP2D6KMT2ACREBBP | |
| SCHEMBL3961553 | 0.82 | KMO (0.39) | CREBBPSMYD3EPHX2GRM5SYK | |
| SCHEMBL1286048 | 0.81 | TTR (0.41) | CREBBPEPHX2GRM5SYKALDH1A1 | |
| SCHEMBL1285709 | 0.78 | CREBBP (0.41) | CREBBPEPHX2GRM5SYKALDH1A1 | |
| SCHEMBL13907948 | 0.77 | KDM4E (0.41) | MEN1KMT2ACREBBPEPHX2GRM5 | |
| SCHEMBL13907983 | 0.75 | MEN1 (0.34) | MEN1KMT2ACREBBPEPHX2ALDH1A1 | |
| SCHEMBL1285701 | 0.74 | CREBBP (0.58) | MEN1KMT2ACREBBPEPHX2GRM5 | |
| SCHEMBL1286027 | 0.74 | TTR (0.36) | CREBBPEPHX2GRM5SYKALDH1A1 | |
| SCHEMBL3652835 | 0.72 | CREBBP (0.37) | CREBBPSMYD3EPHX2GRM5SYK | |
| SCHEMBL16448856 | 0.70 | CREBBP (0.35) | CREBBPEPHX2GRM5SYKALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |