Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | CPT2 | P23786 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BHMT | Q93088 | 3/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3177665 | 0.92 | — | — | |
| T-Butylacetic Acid SCHEMBL10950588 | 0.84 | HMGCR (0.61) | KDM4EFFAR1CPT2TDP1HMGCR | |
| T-Butylacetic Acid SCHEMBL71379 | 0.84 | — | — | |
| T-Butylacetic Acid SCHEMBL28565128 | 0.81 | — | — | |
| T-Butylacetic Acid SCHEMBL9222635 | 0.81 | HMGCR (0.58) | KDM4EFFAR1CPT2TDP1HMGCR | |
| T-Butylacetic Acid SCHEMBL28444777 | 0.81 | — | — | |
| T-Butylacetic Acid SCHEMBL734659 | 0.81 | — | — | |
| T-Butylacetic Acid SCHEMBL18258679 | 0.81 | — | — | |
| T-Butylacetic Acid SCHEMBL973430 | 0.81 | — | — | |
| T-Butylacetic Acid SCHEMBL5979157 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103073402-A | Process for the preparation of 3,3-dimethylbutanal | NUTRASWEET CO | 2013-05-01 | — | — | CN | disclosed |