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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | CD69 | Q07108 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9463352 | 0.85 | CYP3A4 (0.33) | TDP1ATML3MBTL1CA12CA1 | |
| Hydroxyamine SCHEMBL8659777 | 0.81 | — | — | |
| SCHEMBL29894137 | 0.81 | CHKA (0.32) | CA12CA2CA9TSHRCA14 | |
| Water SCHEMBL5062444 | 0.81 | — | — | |
| SCHEMBL30945595 | 0.81 | CHKA (0.32) | CA12CA2CA9TSHRCA14 | |
| SCHEMBL30547267 | 0.81 | CHKA (0.32) | CA12CA2CA9TSHRCA14 | |
| Ammonia Solution, Strong SCHEMBL3063865 | 0.81 | — | — | |
| Formic Acid SCHEMBL28960398 | 0.80 | UNG (0.32) | CA12CA2CA9CA14ALDH1A1 | |
| SCHEMBL9621795 | 0.79 | — | — | |
| SCHEMBL2056721 | 0.79 | CA12 (0.33) | CA12CA2CA9CA14ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043236-A | Estrogens | ASTRA AKTIEBOLAG (SE) | 2000-03-28 | — | — | US | disclosed |
| EP-0847399-A1 | NOVEL ESTROGENS | Astra Aktiebolag (SE) | 1998-06-17 | — | — | EP | disclosed |
| WO-1997008188-A1 | NOVEL ESTROGENS | ASTRA AKTIEBOLAG (SE) | 1997-03-06 | — | — | WO | disclosed |
| EP-0004466-A1 | Demethyl maytansinoids and methods for producing them | Takeda Chemical Industries, Ltd. (JP) | 1979-10-03 | — | — | EP | disclosed |