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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 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 SCHEMBL7622730 | 0.91 | ALDH1A1 (0.67) | KMT2ASIGMAR1ALDH1A1LMNAMEN1 | |
| Bicarbonate SCHEMBL4423951 | 0.89 | KMT2A (0.60) | KMT2ASIGMAR1ALDH1A1LMNAMEN1 | |
| Bicarbonate SCHEMBL7612864 | 0.86 | KMT2A (0.80) | KMT2ASIGMAR1ALDH1A1LMNAAKR1B1 | |
| Bicarbonate SCHEMBL9096119 | 0.83 | KMT2A (0.52) | KMT2ASIGMAR1ALDH1A1LMNAMEN1 | |
| Bicarbonate SCHEMBL7615605 | 0.83 | KMT2A (0.74) | KMT2ASIGMAR1ALDH1A1LMNAAKR1B1 | |
| Bicarbonate SCHEMBL7612640 | 0.83 | KMT2A (0.74) | KMT2ASIGMAR1ALDH1A1LMNAAKR1B1 | |
| Bicarbonate SCHEMBL7619163 | 0.81 | KMT2A (0.76) | KMT2ASIGMAR1ALDH1A1LMNAAKR1B1 | |
| Bicarbonate SCHEMBL7615814 | 0.80 | KMT2A (0.69) | KMT2ASIGMAR1ALDH1A1LMNAAKR1B1 | |
| Bicarbonate SCHEMBL7618943 | 0.78 | ALDH1A1 (0.70) | KMT2ASIGMAR1ALDH1A1LMNARAB9A | |
| Bicarbonate SCHEMBL7615737 | 0.78 | SIGMAR1 (0.60) | KMT2ASIGMAR1ALDH1A1LMNAMEN1 |
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-0596298-B1 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-0596298-A2 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 1994-05-11 | — | — | EP | disclosed |