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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.59 |
| ▸ | RAB9A | P51151 | 10/20 | 0.59 |
| ▸ | MAPT | P10636 | 9/20 | 0.59 |
| ▸ | MEN1 | O00255 | 8/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | SCD | O00767 | 5/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.51 |
| ▸ | STAT1 | P42224 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
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 SCHEMBL2308957 | 0.98 | NPC1 (0.59) | NPC1RAB9AMAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL2309768 | 0.97 | NPC1 (0.58) | NPC1RAB9AMAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL2357944 | 0.96 | NPC1 (0.61) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2308045 | 0.93 | MAPT (0.55) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2309677 | 0.93 | MAPT (0.55) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2308050 | 0.93 | MAPT (0.55) | NPC1RAB9AMAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL2309547 | 0.91 | NPC1 (0.49) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2314432 | 0.89 | DGAT1 (0.64) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2308953 | 0.89 | DGAT1 (0.64) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL2309683 | 0.89 | DGAT1 (0.64) | NPC1RAB9AMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633722-B1 | PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY | BAYER HEALTHCARE LLC (US) | 2011-08-03 | — | — | EP | claimed |