Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL85014 | 0.94 | TSHR (0.42) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL20635493 | 0.84 | TSHR (0.35) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL797973 | 0.82 | TSHR (0.47) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL8359184 | 0.81 | TSHR (0.36) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL16675250 | 0.79 | TSHR (0.35) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL7945118 | 0.78 | TSHR (0.38) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL10063479 | 0.77 | ACLY (0.38) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL19835942 | 0.77 | ACLY (0.38) | TSHRALDH1A1ACLYCYP2D6CYP2C19 | |
| SCHEMBL16351218 | 0.77 | POLB (0.39) | POLB | |
| SCHEMBL21392927 | 0.77 | ACLY (0.31) | ACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187735-B | The method of diisobutylene carbonylation synthesis pivalic acid and 2,2,4,4- tetramethyl valeric acid | 河北华旭化工有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-106187735-A | Diisobutylene oxo process pivalic acid and the method for 2,2,4,4 tetramethyl valeric acids | 河北华旭化工有限公司 | 2016-12-07 | — | — | CN | disclosed |