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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.50 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.50 |
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 SCHEMBL6421261 | 1.00 | NPC1 (0.55) | NPC1RAB9AGLATDP1HDAC1 | |
| SCHEMBL12719046 | 0.91 | MAOB (0.50) | NPC1RAB9AGLATDP1HDAC1 | |
| SCHEMBL17995260 | 0.91 | MAOB (0.50) | NPC1RAB9AGLATDP1HDAC1 | |
| SCHEMBL1507418 | 0.91 | MAOB (0.50) | NPC1RAB9AGLATDP1HDAC1 | |
| Acrylic Acid SCHEMBL5162089 | 0.88 | NPC1 (0.49) | NPC1RAB9AGLATDP1HDAC1 | |
| (Z)-1,2-Diphenylethene SCHEMBL980839 | 0.78 | HDAC1 (0.67) | GLATDP1HDAC1HDAC2HDAC6 | |
| (Z)-1,2-Diphenylethene SCHEMBL4532649 | 0.78 | HDAC1 (0.67) | GLATDP1HDAC1HDAC2HDAC6 | |
| (Z)-1,2-Diphenylethene SCHEMBL27513215 | 0.78 | HDAC1 (0.67) | GLATDP1HDAC1HDAC2HDAC6 | |
| SCHEMBL19398196 | 0.78 | ALDH1A1 (0.61) | NPC1RAB9AGLATDP1HDAC1 | |
| SCHEMBL22284093 | 0.78 | ALDH1A1 (0.61) | NPC1RAB9AGLATDP1HDAC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080665-B2 | Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-12-20 | — | — | US | disclosed |
| US-20090124660-A1 | Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-05-14 | — | — | US | disclosed |
| US-7449482-B2 | Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2008-11-11 | — | — | US | disclosed |
| EP-1653957-B1 | PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-07-09 | — | — | EP | disclosed |
| EP-1653957-A1 | PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-05-10 | — | — | EP | disclosed |
| US-20050032828-A1 | Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-02-10 | — | — | US | disclosed |
| WO-2005011693-A1 | PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-02-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050032828-A1 | Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors | ACACA, ACACB, PC | NPC1 482/4885RAB9A 2937/4885GLA 2295/4885 |
| US-20090124660-A1 | Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors | ACACA, ACACB, PC | NPC1 482/4885RAB9A 2937/4885GLA 2295/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.