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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5494586 | 0.81 | LCK (0.46) | MAPTDHFRLMNA | |
| Hydrochloric Acid SCHEMBL5496032 | 0.76 | LCK (0.38) | MAPTDHFRKMT2ASMN1; SMN2NPC1 | |
| SCHEMBL5496279 | 0.75 | LCK (0.51) | MAPTDHFRLMNAALDH1A1 | |
| SCHEMBL559893 | 0.64 | MAPT (0.47) | MAPTKDM4EDHFRKMT2ASMN1; SMN2 | |
| SCHEMBL6049508 | 0.64 | DHFR (0.55) | MAPTDHFRLMNAALDH1A1TDP1 | |
| SCHEMBL28396639 | 0.63 | TSHR (0.51) | MAPTKMT2AMEN1SMN1; SMN2NPC1 | |
| Benzene SCHEMBL27889154 | 0.62 | MAPT (0.49) | MAPTKMT2AMEN1SMN1; SMN2NPC1 | |
| SCHEMBL6049656 | 0.62 | DHFR (0.50) | MAPTDHFRKMT2AMEN1TDP1 | |
| SCHEMBL1751440 | 0.62 | ALDH1A1 (0.67) | KMT2AMEN1LMNAALDH1A1TDP1 | |
| SCHEMBL19662807 | 0.61 | ADORA2A (0.49) | ALDH1A1 |
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-1836174-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC. (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006039718-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2006-04-13 | — | — | WO | disclosed |