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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | PTPN7 | P35236 | 5/20 | 0.48 |
| ▸ | HMGCR | P04035 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 6/20 | 0.42 |
| ▸ | PPARD | Q03181 | 6/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Heptanenitrile SCHEMBL6153881 | 0.98 | TSHR (0.59) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| Bicarbonate SCHEMBL6154863 | 0.98 | TSHR (0.59) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| Bicarbonate SCHEMBL6155323 | 0.98 | TSHR (0.59) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| Carbamic Acid SCHEMBL6153535 | 0.89 | TSHR (0.54) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| Heptanenitrile SCHEMBL6153522 | 0.89 | TSHR (0.54) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| Water SCHEMBL27972168 | 0.87 | — | — | |
| Bicarbonate SCHEMBL2169350 | 0.87 | TSHR (0.45) | TSHRTDP1ALDH1A1MEN1KMT2A | |
| Bicarbonate SCHEMBL9835481 | 0.87 | TSHR (0.45) | TSHRTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL27494430 | 0.87 | TSHR (0.81) | TSHRPTPN7HMGCRTDP1ALDH1A1 | |
| SCHEMBL21555 | 0.87 | — | — |
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-1499656-A1 | METHOD FOR PRODUCING POLYAMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089496-A1 | METHOD FOR PRODUCING POLYAMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-30 | — | — | WO | disclosed |