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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | JMJD6 | Q6NYC1 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31710819 | 0.76 | — | — | |
| SCHEMBL14857340 | 0.74 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL11983586 | 0.73 | SMN1; SMN2 (0.38) | KDM4CKDM5BJMJD6KMT2AKDM4E | |
| SCHEMBL20892184 | 0.73 | — | — | |
| SCHEMBL28059102 | 0.72 | — | — | |
| SCHEMBL13823868 | 0.72 | TDP1 (0.43) | KDM4CKDM5BJMJD6KMT2AKDM4E | |
| SCHEMBL1086136 | 0.70 | — | — | |
| SCHEMBL84431 | 0.70 | — | — | |
| Bicarbonate SCHEMBL5617163 | 0.69 | NPC1 (0.43) | JMJD6KMT2AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL12535859 | 0.69 | MGLL (0.38) | KDM4CKDM5BJMJD6KMT2AKDM4E |
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-2001299-A2 | FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | Bayer CropScience Aktiengesellschaft (DE) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110173-A2 | FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2007-10-04 | — | — | WO | disclosed |