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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 9/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL3663569 | 1.00 | SLC9A1 (0.60) | SLC9A1KMT2AMAPTKDM1AMAOA | |
| Bicarbonate SCHEMBL3663565 | 0.97 | SLC9A1 (0.60) | SLC9A1KMT2AMAPTKDM1AMAOA | |
| SCHEMBL3288310 | 0.93 | SLC9A1 (0.68) | SLC9A1KMT2AMAPTKDM1AMAOA | |
| SCHEMBL2393407 | 0.93 | SLC9A1 (0.68) | SLC9A1KMT2AMAPTKDM1AMAOA | |
| SCHEMBL3288307 | 0.93 | SLC9A1 (0.68) | SLC9A1KMT2AMAPTKDM1AMAOA | |
| SCHEMBL18927360 | 0.78 | SLC9A1 (0.62) | SLC9A1KMT2AMAPTLMNAHTT | |
| SCHEMBL16819920 | 0.78 | SLC9A1 (0.62) | SLC9A1KMT2AMAPTLMNAHTT | |
| SCHEMBL3655655 | 0.78 | SLC9A1 (0.62) | SLC9A1KMT2AMAPTLMNAHTT | |
| SCHEMBL3287845 | 0.78 | SLC9A1 (0.62) | SLC9A1KMT2AMAPTLMNAHTT | |
| SCHEMBL3287837 | 0.78 | SLC9A1 (0.62) | SLC9A1KMT2AMAPTLMNAHTT |
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-2207540-A1 | CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF | F. Hoffmann-Roche AG (CH) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009043784-A1 | CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-09 | — | — | WO | disclosed |