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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 7/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10073832 | 0.91 | TSHR (0.55) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL13400989 | 0.91 | TSHR (0.55) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL10894893 | 0.88 | TSHR (0.55) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL19844245 | 0.86 | TSHR (0.58) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL20573854 | 0.86 | TSHR (0.57) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL7533400 | 0.86 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL22678520 | 0.86 | TSHR (0.46) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL8067431 | 0.86 | TSHR (0.46) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL10073636 | 0.84 | TSHR (0.47) | TSHRALDH1A1CYP3A4HPGDNAAA | |
| SCHEMBL14907412 | 0.84 | TSHR (0.56) | TSHRALDH1A1CYP3A4HPGDSMN1; SMN2 |
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-0755918-B1 | Photocrosslinkable liquid crystalline 1,2-phenylene derivatives | ROLIC AG (CH) | 2000-09-06 | — | — | EP | disclosed |
| EP-0755918-A2 | Photocrosslinkable liquid crystalline 1,2-phenylene derivatives | Rolic AG (CH) | 1997-01-29 | — | — | EP | disclosed |