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 | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 SCHEMBL5504809 | 1.00 | SMPD1 (0.62) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL3245222 | 0.96 | SMPD1 (0.67) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| Bicarbonate SCHEMBL5499351 | 0.95 | SMN1; SMN2 (0.68) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| Bicarbonate SCHEMBL5499350 | 0.95 | SMN1; SMN2 (0.68) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL18660058 | 0.90 | SMN1; SMN2 (0.62) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL30820546 | 0.90 | SMN1; SMN2 (0.62) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL2188210 | 0.90 | SMPD1 (0.76) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL2063068 | 0.90 | SMN1; SMN2 (0.73) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL18031233 | 0.88 | SMN1; SMN2 (0.60) | SMPD1HDAC1HDAC8HDAC6RAB9A | |
| SCHEMBL17835716 | 0.88 | SMPD1 (0.62) | SMPD1HDAC1HDAC8HDAC6RAB9A |
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-1751097-A1 | SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES | Proteotech, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005113489-A1 | SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES | PROTEOTECH, INC. (US) | 2005-12-01 | — | — | WO | disclosed |