Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL29001537 | 0.87 | TSHR (0.50) | TSHRALDH1A1TDP1MGAMGAA | |
| Acetoacetic Acid SCHEMBL1493223 | 0.87 | TSHR (0.50) | TSHRALDH1A1TDP1MGAMGAA | |
| Butanone SCHEMBL1576889 | 0.85 | TDP1 (0.62) | TSHRALDH1A1TDP1TP53TRPA1 | |
| Butanol SCHEMBL25345835 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL28237623 | 0.84 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1MGAMGAA | |
| Isopropyl Alcohol SCHEMBL8457735 | 0.84 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1MGAMGAA | |
| Butanol SCHEMBL5317804 | 0.84 | TSHR (0.71) | TSHRALDH1A1TDP1TP53 | |
| Acetoacetic Acid SCHEMBL31448154 | 0.83 | TSHR (0.46) | TSHRALDH1A1TDP1 | |
| Propylene Glycol SCHEMBL28916411 | 0.82 | TDP1 (0.59) | TSHRALDH1A1TDP1MGAMGAA | |
| Butanol SCHEMBL1028571 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105618063-B | It is a kind of for beta-diketon Hydrogenation for beta-diol catalyst | 中国石油化工股份有限公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-105566068-B | A kind of method for beta-diketon Hydrogenation for beta-diol | 中国石油化工股份有限公司 | 2018-05-11 | — | — | CN | disclosed |