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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL868764 | 0.95 | EPHX1 (0.59) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL19426060 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL1067515 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL19426065 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL8393998 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL17169490 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL15700754 | 0.93 | EPHX1 (0.63) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3927000 | 0.91 | EPHX1 (0.61) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL423315 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL4972944 | 0.88 | EPHX1 (0.52) | EPHX1NPSR1RAB9AEPHX2ALDH1A1 |
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-1046638-B1 | Process for the preparation of aminoacid derivatives | DEGUSSA (DE) | 2003-10-01 | — | — | EP | disclosed |
| EP-1046638-A2 | Process for the preparation of aminoacid derivatives | Degussa-Hüls Aktiengesellschaft (DE) | 2000-10-25 | — | — | EP | disclosed |