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 | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 16/20 | 0.47 |
| ▸ | MTOR | P42345 | 8/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.40 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.40 |
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 SCHEMBL363717 | 0.88 | PIK3CA (0.46) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| SCHEMBL13674708 | 0.86 | PIK3CA (0.53) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| SCHEMBL336555 | 0.86 | PIK3CA (0.58) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| Bicarbonate SCHEMBL2873221 | 0.86 | PIK3CA (0.45) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| Bicarbonate SCHEMBL2869958 | 0.86 | PIK3CA (0.47) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| SCHEMBL336707 | 0.84 | PIK3CA (0.44) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| SCHEMBL336708 | 0.84 | HDAC1 (0.48) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| Bicarbonate SCHEMBL13674675 | 0.84 | HDAC1 (0.53) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| Bicarbonate SCHEMBL2869577 | 0.83 | PIK3CA (0.42) | PIK3CAMTORPIK3CDHDAC1PIK3R1 | |
| SCHEMBL336378 | 0.82 | PIK3CA (0.46) | PIK3CAMTORPIK3CDHDAC1PIK3R1 |
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-2336132-B1 | MORPHOLINOPURINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2014-01-01 | — | — | EP | disclosed |
| US-8309546-B2 | Morpholinopurine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-11-13 | — | — | US | disclosed |