Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetoacetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL1638934 | 1.00 | TDP1 (0.46) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL1058961 | 0.95 | TDP1 (0.50) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL5797078 | 0.95 | TDP1 (0.50) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL28640192 | 0.95 | TDP1 (0.50) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL5799898 | 0.85 | TDP1 (0.40) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL711498 | 0.85 | KDM4E (0.48) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL2701583 | 0.85 | KDM4E (0.48) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL6572214 | 0.84 | ALDH1A1 (0.38) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Acetoacetic Acid SCHEMBL8843224 | 0.84 | ALDH1A1 (0.38) | TDP1KDM4EKDM6BKDM5CEGLN1 | |
| Propylene Glycol SCHEMBL27330435 | 0.84 | KDM4E (0.46) | TDP1KDM4EKDM6BKDM5CEGLN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150335628-A1 | OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES | NEKTAR THERAPEUTICS | 2015-11-26 | — | — | US | disclosed |
| US-9132200-B2 | Oligomer-calcium channel blocker conjugates | NEKTAR THERAPEUTICS (US) | 2015-09-15 | — | — | US | disclosed |
| US-20140323529-A1 | OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES | NEKTAR THERAPEUTICS (US) | 2014-10-30 | — | — | US | disclosed |
| US-8748648-B2 | Oligomer-calcium channel blocker conjugates | NEKTAR THERAPEUTICS (US) | 2014-06-10 | — | — | US | disclosed |
| US-20110098273-A1 | Oligomer-Calcium Channel Blocker Conjugates | NEKTAR THERAPEUTICS (US) | 2011-04-28 | — | — | US | disclosed |
| US-20100184989-A1 | De Novo Synthesis of Conjugates | NEKTAR THERAPEUTICS (US) | 2010-07-22 | — | — | US | disclosed |
| EP-2125027-A2 | DE NOVO SYNTHESIS OF CONJUGATES | Nektar Therapeutics (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2009032286-A2 | OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES | NEKTAR THERAPEUTICS AL, CORPORATION (US) | 2009-03-12 | — | — | WO | disclosed |
| WO-2008112286-A9 | DE NOVO SYNTHESIS OF CONJUGATES | NEKTAR THERAPEUTICS AL CORP (US) | 2008-12-18 | — | — | WO | disclosed |
| WO-2008112286-A2 | DE NOVO SYNTHESIS OF CONJUGATES | NEKTAR THERAPEUTICS (US) | 2008-09-18 | — | — | 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 (4 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-20150335628-A1 | OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES | ORAI1, CACNB2, CACNA1B | TDP1 3971/4885KDM4E 4024/4885KDM6B 2856/4885 |
| US-20110098273-A1 | Oligomer-Calcium Channel Blocker Conjugates | ORAI1, CACNB2, CACNA1B | TDP1 3971/4885KDM4E 4024/4885KDM6B 2856/4885 |
| US-20140323529-A1 | OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES | ORAI1, CACNB2, CACNA1B | TDP1 3971/4885KDM4E 4024/4885KDM6B 2856/4885 |
| US-20100184989-A1 | De Novo Synthesis of Conjugates | ABCG2, UGT1A8, SLC7A5 | TDP1 2509/4885KDM4E 4261/4885KDM6B 1572/4885 |
“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.