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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 3/20 | 0.38 |
| ▸ | GABRD | O14764 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.38 |
| ▸ | GABRE | P78334 | 3/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL38738 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL4114425 | 0.86 | JUN (0.39) | ALDH1A1GAAMAPTLMNAHTT | |
| SCHEMBL14844352 | 0.82 | LMNA (0.41) | ALDH1A1GAAMAPTLMNAHTT | |
| SCHEMBL111337 | 0.71 | — | — | |
| SCHEMBL31490392 | 0.71 | — | — | |
| SCHEMBL64708 | 0.68 | NNMT (0.53) | ALDH1A1GAAMAPTLMNAHTT | |
| SCHEMBL31753297 | 0.68 | NNMT (0.53) | ALDH1A1GAAMAPTLMNAHTT | |
| Ammonia Solution, Strong SCHEMBL25301697 | 0.68 | — | — | |
| SCHEMBL16305172 | 0.67 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTPIK3CD | |
| SCHEMBL746392 | 0.65 | LMNA (0.37) | ALDH1A1GAAMAPTLMNAHTT |
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-2429295-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | Albany Molecular Research, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132437-A1 | ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-11-18 | — | — | WO | disclosed |