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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11240047 | 0.87 | DNM1 (0.40) | CPB2MEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL728358 | 0.85 | DNM1 (0.36) | CYP1A2MEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL9069919 | 0.79 | ODC1 (0.38) | CYP1A2MEN1ALDH1A1KMT2ADNM1 | |
| SCHEMBL2143013 | 0.75 | DNM1 (0.46) | MEN1ALDH1A1KMT2ALMNADNM1 | |
| SCHEMBL16597980 | 0.74 | CA12 (0.45) | CYP1A2PAOXMEN1ALDH1A1KMT2A | |
| SCHEMBL28438752 | 0.73 | DNM1 (0.48) | MEN1ALDH1A1KMT2ADNM1TSHR | |
| Cyclopropane SCHEMBL4123364 | 0.73 | DNM1 (0.42) | MEN1ALDH1A1KMT2ALMNADNM1 | |
| SCHEMBL9804420 | 0.73 | DNM1 (0.42) | MEN1ALDH1A1KMT2ALMNADNM1 | |
| Ethylenediamine SCHEMBL28547211 | 0.72 | — | — | |
| SCHEMBL12486781 | 0.71 | ALDH1A1 (0.42) | CYP1A2PAOXMEN1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6090904-A | ORGANIC DI-ISOCYANATE SELECTED FROM THE GROUP CONSISTING OF ALIPHATIC DI-ISOCYANATES AND DIPHENYLMETHANE DI-ISOCYANATE WHICH REACTS WITH THE VOLATILE OXIME CONDENSATION BY-PRODUCT TO CONTROL ITS EMISSION FROM THE COMPOSITION AS IT CURES. | ARA WERK KRAMER GMBH (DE) | 2000-07-18 | — | — | US | disclosed |