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 | |
|---|---|---|---|---|
| ▸ | GPR139 | Q6DWJ6 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 4/20 | 0.49 |
| ▸ | MMP2 | P08253 | 4/20 | 0.49 |
| ▸ | MMP3 | P08254 | 4/20 | 0.49 |
| ▸ | MMP9 | P14780 | 4/20 | 0.49 |
| ▸ | MMP13 | P45452 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 SCHEMBL4213744 | 1.00 | GPR139 (0.52) | GPR139ALDH1A1HPGDMMP1MMP2 | |
| SCHEMBL1841392 | 0.97 | GPR139 (0.55) | GPR139ALDH1A1HPGDMMP1MMP2 | |
| SCHEMBL379526 | 0.97 | GPR139 (0.55) | GPR139ALDH1A1HPGDMMP1MMP2 | |
| SCHEMBL4212980 | 0.97 | GPR139 (0.55) | GPR139ALDH1A1HPGDMMP1MMP2 | |
| SCHEMBL1844605 | 0.97 | GPR139 (0.55) | GPR139ALDH1A1HPGDMMP1MMP2 | |
| Bicarbonate SCHEMBL4214422 | 0.89 | GPR139 (0.50) | GPR139ALDH1A1MMP1MMP2MMP3 | |
| Bicarbonate SCHEMBL4214417 | 0.89 | GPR139 (0.50) | GPR139ALDH1A1MMP1MMP2MMP3 | |
| SCHEMBL4216415 | 0.89 | GPR139 (0.57) | GPR139ALDH1A1MMP1MMP2MMP3 | |
| SCHEMBL1841540 | 0.89 | GPR139 (0.57) | GPR139ALDH1A1MMP1MMP2MMP3 | |
| SCHEMBL379512 | 0.89 | GPR139 (0.57) | GPR139ALDH1A1MMP1MMP2MMP3 |
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-2074093-A2 | MATRIX METALLOPROTEINASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008023336-A2 | MATRIX METALLOPROTEINASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2008-02-28 | — | — | WO | disclosed |