Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1785998 | 0.83 | ALDH1A1 (0.50) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL6599272 | 0.82 | CYP4F2 (0.46) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL3881192 | 0.81 | CYP4F2 (0.44) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL29188799 | 0.79 | TSHR (0.38) | ALDH1A1MMP8GAATSHR | |
| SCHEMBL8160225 | 0.78 | ALDH1A1 (0.46) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL21372471 | 0.77 | ALDH1A1 (0.39) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL2242736 | 0.76 | CYP4F2 (0.44) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL12386545 | 0.76 | CYP4F2 (0.44) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL8945034 | 0.75 | ALDH1A1 (0.48) | CYP4F2CYP4A11ALDH1A1PKMMMP8 | |
| SCHEMBL122175 | 0.75 | — | — |
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-110790666-B | Preparation method of ethyl 2,2, 4-trimethyl-3-hydroxypentanoate, water-based paint for containers and preparation method of water-based paint | 润泰化学（泰兴）有限公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-110790666-A | Preparation method of ethyl 2,2, 4-trimethyl-3-hydroxypentanoate, water-based paint for containers and preparation method of water-based paint | 润泰化学（泰兴）有限公司 | 2020-02-14 | — | — | CN | disclosed |