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 | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.60 |
| ▸ | ITGA4 | P13612 | 10/20 | 0.60 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1170751 | 0.93 | ITGB1 (0.70) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| Water SCHEMBL2128631 | 0.93 | ITGB1 (0.69) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| Water SCHEMBL1170415 | 0.91 | ITGB1 (0.61) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| SCHEMBL2432856 | 0.88 | ITGB1 (0.80) | ITGB1ITGA4 | |
| SCHEMBL2432751 | 0.88 | ITGB1 (0.80) | ITGB1ITGA4 | |
| SCHEMBL2430237 | 0.86 | ITGB1 (0.71) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| SCHEMBL2432788 | 0.86 | ITGB1 (0.71) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| SCHEMBL24945374 | 0.80 | ITGA4 (0.86) | ITGB1ITGA4S1PR2 | |
| SCHEMBL2432824 | 0.80 | ITGB1 (0.56) | ITGB1ITGA4KDM1AMEN1KMT2A | |
| SCHEMBL7269962 | 0.80 | ITGB1 (0.56) | ITGB1ITGA4KDM1AMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | claimed |