Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | ARG2 | P78540 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ARG1 | P05089 | 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 | |
|---|---|---|---|---|
| SCHEMBL11147425 | 0.87 | — | — | |
| 1,4-Butanediol SCHEMBL4463482 | 0.82 | GPR84 (0.42) | CYP4F2CYP4A11ARG2FFAR1GPR84 | |
| 1,4-Butanediol SCHEMBL3009897 | 0.82 | GPR84 (0.42) | CYP4F2CYP4A11ARG2FFAR1GPR84 | |
| SCHEMBL2474045 | 0.81 | AKR1B1 (0.37) | FFAR1GPR84FFAR4TDP1TSHR | |
| 1,6-Hexanediol SCHEMBL28500023 | 0.80 | FFAR1 (0.46) | CYP4F2CYP4A11ARG2FFAR1GPR84 | |
| SCHEMBL4462242 | 0.80 | FFAR1 (0.46) | CYP4F2CYP4A11ARG2FFAR1GPR84 | |
| SCHEMBL11363060 | 0.79 | FOLH1 (0.41) | ARG2FFAR1TDP1TSHRALDH1A1 | |
| SCHEMBL9709720 | 0.79 | AKR1B1 (0.41) | FFAR1GPR84FFAR4TDP1TSHR | |
| SCHEMBL679536 | 0.77 | CES2 (0.44) | FFAR1GPR84FFAR4TDP1TSHR | |
| SCHEMBL6060935 | 0.77 | CES2 (0.44) | FFAR1GPR84FFAR4TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-8269003-A | — | — | None | — | — | JP | disclosed |
| JP-H08269003-A | THIOGLYCOLIC ACID 1,3-BUTANEDIOL ESTER AND COMPOSITION FOR PERMANENT-WAVE TREATMENT CONTAINING THE ESTER | KAO CORP | 1996-10-15 | — | — | JP | disclosed |