Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of T-Butylacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| T-Butylacetic Acid SCHEMBL973429 | 0.91 | — | — | |
| T-Butylacetic Acid SCHEMBL18258678 | 0.91 | CA4 (0.43) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL6500330 | 0.91 | — | — | |
| T-Butylacetic Acid SCHEMBL11218671 | 0.91 | — | — | |
| T-Butylacetic Acid SCHEMBL4319302 | 0.91 | — | — | |
| T-Butylacetic Acid SCHEMBL3159252 | 0.88 | CA4 (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL28123305 | 0.88 | CA4 (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL28494927 | 0.86 | CA4 (0.40) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL7859363 | 0.86 | CA4 (0.40) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL6567111 | 0.81 | CA4 (0.42) | CA4FFAR3HDAC3HDAC1HDAC2 |
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-7109352-B2 | Process for producing optically active amino acid derivatives | KANEKA CORPORATION (JP) | 2006-09-19 | — | — | US | disclosed |
| US-20050143586-A1 | Process for producing optically active amino acid derivatives | KANEKA CORPORATION (JP) | 2005-06-30 | — | — | US | disclosed |
| US-6720449-B2 | N-PROTECTING AN OPTICALLY ACTIVE 3-HALOALANINE DERIVATIVE FOLLOWED BY CYCLIZATION FOR AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES | KANEKA CORPORATION (JP) | 2004-04-13 | — | — | US | disclosed |
| US-20030032814-A1 | Process for preparing optically active amino acid derivatives | KANEKA CORPORATION (JP) | 2003-02-13 | — | — | US | disclosed |
| EP-1179530-A1 | PROCESSES FOR PREPARING OPTICALLY ACTIVE AMINO ACID DERIVATIVES | Kaneka Corporation (JP) | 2002-02-13 | — | — | 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 (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-20050143586-A1 | Process for producing optically active amino acid derivatives | NPEPPS, AAAS, DDC | CHRM1 4257/4885CA4 1236/4885FFAR3 1829/4885 |
| US-20030032814-A1 | Process for preparing optically active amino acid derivatives | NPEPPS, AAAS, DDC | CHRM1 4103/4885CA4 1581/4885FFAR3 1931/4885 |
“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.