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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25337568 | 0.86 | FFAR1 (0.43) | NPC1RAB9ALMNAPPARGPPARA | |
| Bicarbonate SCHEMBL28233769 | 0.83 | NPC1 (0.49) | TSHRNPC1RAB9AKDM4ELMNA | |
| Bicarbonate SCHEMBL28105724 | 0.80 | EPHX1 (0.49) | TSHREPHX1NPC1RAB9AMTNR1A | |
| SCHEMBL8555339 | 0.79 | TSHR (0.45) | TSHRNPC1RAB9AKDM4ELMNA | |
| SCHEMBL14945475 | 0.78 | GSR (0.47) | TSHRKDM4ELMNAALDH1A1 | |
| SCHEMBL27704701 | 0.78 | GSR (0.47) | TSHRKDM4ELMNAALDH1A1 | |
| SCHEMBL14945472 | 0.78 | GSR (0.47) | TSHRKDM4ELMNAALDH1A1 | |
| SCHEMBL15899455 | 0.77 | MEN1 (0.36) | TSHRKDM4EALDH1A1 | |
| SCHEMBL9417238 | 0.77 | SRR (0.59) | PPARGPPARA | |
| SCHEMBL9292258 | 0.76 | TSHR (0.46) | TSHREPHX1NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008407-A | Process for producing propylene block copolymer | TOHO TITANIUM CO LTD | 2015-10-28 | — | — | CN | disclosed |