Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Methylbutanoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.44 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.91 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.91 | TDP1 (0.56) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.91 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL5511012 | 0.88 | FFAR3 (0.59) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL2303256 | 0.88 | TDP1 (0.48) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL6113289 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8574420 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6139482 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL15772049 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572474 | 0.88 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829168-B2 | Method of preparing deoxyribofuranose compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2014-09-09 | — | — | US | disclosed |
| US-20110288282-A1 | METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS | ANADYS PHARMACEUTICALS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-8007545-B2 | Deodorant compositions | KAO CORPORATION (JP) | 2011-08-30 | — | — | US | disclosed |
| US-20070117739-A1 | Deodorant compositions | KAO CORPORATION | 2007-05-24 | — | — | US | disclosed |
| EP-1787689-A1 | Deodorant compositions | Kao Corporation (JP) | 2007-05-23 | — | — | EP | 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 (1 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-20110288282-A1 | METHOD OF PREPARING DEOXYRIBOFURANOSE COMPOUNDS | DUT, DPYD, DERA | TDP1 377/4885ALDH1A1 240/4885CACNA2D1 4832/4885 |
“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.