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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | STAT5B | P51692 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1412495 | 0.94 | KDM4E (0.37) | KDM4EHSD17B10TSHRNPSR1MEN1 | |
| SCHEMBL25958491 | 0.84 | KDM4E (0.39) | KDM4ETSHRNPSR1MEN1KMT2A | |
| SCHEMBL31094801 | 0.79 | PTGS2 (0.43) | TSHRKMT2ACYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL23989841 | 0.76 | KDM4E (0.36) | KDM4EHSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1029619 | 0.75 | MAPK1 (0.41) | KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL30231002 | 0.74 | NPC1 (0.43) | KDM4EHSD17B10TSHRGAAALDH1A1 | |
| SCHEMBL23989504 | 0.74 | GRM2 (0.39) | SRC | |
| SCHEMBL23991151 | 0.74 | CNR1 (0.37) | KDM4EHSD17B10MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL22125841 | 0.73 | MAPT (0.35) | KDM4ENPSR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23985455 | 0.73 | KDM4C (0.34) | KDM4EMEN1KMT2ASMN1; SMN2NPC1 |
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-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |