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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | ATF4 | P18848 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 SCHEMBL4432364 | 0.89 | MEN1 (0.57) | MEN1KMT2ASIGMAR1EPHX2KDM4E | |
| Bicarbonate SCHEMBL4428400 | 0.89 | MEN1 (0.70) | MEN1KMT2ANPC1MAPTRAB9A | |
| Bicarbonate SCHEMBL6998126 | 0.88 | MEN1 (0.56) | MEN1KMT2ANPC1MAPTRAB9A | |
| Bicarbonate SCHEMBL4428116 | 0.88 | MEN1 (0.56) | MEN1KMT2ASIGMAR1EPHX2KDM4E | |
| Bicarbonate SCHEMBL4434715 | 0.88 | KMT2A (0.72) | MEN1KMT2ANPC1MAPTRAB9A | |
| Bicarbonate SCHEMBL4428096 | 0.88 | KMT2A (0.72) | MEN1KMT2ANPC1MAPTRAB9A | |
| Bicarbonate SCHEMBL4434731 | 0.87 | MEN1 (0.55) | MEN1KMT2ASIGMAR1EPHX2KDM4E | |
| Bicarbonate SCHEMBL7615737 | 0.87 | SIGMAR1 (0.60) | MEN1KMT2AMAPTSIGMAR1HPGD | |
| Bicarbonate SCHEMBL4424931 | 0.86 | MEN1 (0.54) | MEN1KMT2ASIGMAR1EPHX2KDM4E | |
| Bicarbonate SCHEMBL8555199 | 0.86 | SIGMAR1 (0.47) | MEN1KMT2ANPC1MAPTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741700-B1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-10-07 | — | — | EP | disclosed |
| EP-0741700-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AG (DE) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020572-A1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-08-03 | — | — | WO | disclosed |