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 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6176844 | 0.91 | CYP1A2 (0.52) | TDP1CYP1A2ACP3MEN1KMT2A | |
| SCHEMBL7967028 | 0.78 | KDM4E (0.49) | TDP1CYP1A2MEN1KMT2ANR4A1 | |
| SCHEMBL6180488 | 0.78 | CYP1A2 (0.41) | TDP1CYP1A2ACP3MEN1KMT2A | |
| Bicarbonate SCHEMBL28996504 | 0.76 | HSD17B10 (0.43) | TDP1CYP1A2MEN1KMT2AMAPT | |
| SCHEMBL27081056 | 0.75 | TDP1 (0.62) | TDP1CYP1A2CTNNB1ACP3MEN1 | |
| SCHEMBL7033804 | 0.75 | CYP1A2 (0.57) | TDP1CYP1A2CTNNB1ACP3MTNR1A | |
| SCHEMBL146603 | 0.75 | CYP1A2 (0.52) | TDP1CYP1A2CTNNB1ACP3MEN1 | |
| SCHEMBL10711011 | 0.74 | TDP1 (0.49) | TDP1CYP1A2CTNNB1ACP3MEN1 | |
| SCHEMBL2858432 | 0.74 | CYP1A2 (0.56) | TDP1CYP1A2ACP3MEN1KMT2A | |
| SCHEMBL2858430 | 0.74 | CYP1A2 (0.56) | TDP1CYP1A2ACP3MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116041298-B | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2024-07-16 | — | — | CN | claimed |
| CN-116041298-A | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2023-05-02 | — | — | CN | claimed |
| CN-116041298-B | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2024-07-16 | — | — | CN | disclosed |
| CN-116041298-B | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2024-07-16 | — | — | CN | disclosed |
| CN-116041298-A | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2023-05-02 | — | — | CN | disclosed |
| CN-116041298-A | Preparation method of polysubstituted naphtho [2,1-b ] furan compound | 中国科学院大连化学物理研究所 | 2023-05-02 | — | — | CN | disclosed |