Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27476994 | 0.89 | TSHR (0.43) | TSHRACHEALDH1A1TDP1HSD17B10 | |
| O-Xylene SCHEMBL28309220 | 0.89 | TSHR (0.43) | TSHRACHEALDH1A1NPSR1KMT2A | |
| Formic Acid Methyl Ester SCHEMBL28112146 | 0.84 | ACHE (0.65) | TSHRACHEALDH1A1LMNANPC1 | |
| Formic Acid Methyl Ester SCHEMBL29959384 | 0.84 | CA1 (0.50) | TSHRALDH1A1CA1CA2CA7 | |
| O-Tolylamine SCHEMBL28184600 | 0.84 | TDP1 (0.62) | TSHRACHEALDH1A1TDP1CYP3A4 | |
| O-Xylene SCHEMBL27935935 | 0.83 | TSHR (0.56) | TSHRACHEALDH1A1CA1CA2 | |
| Toluene SCHEMBL4302343 | 0.81 | ACHE (0.58) | TSHRACHEALDH1A1TDP1CYP3A4 | |
| O-Xylene SCHEMBL27935934 | 0.81 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11804366 | 0.79 | TSHR (0.67) | TSHRACHEALDH1A1CA1CA2 | |
| Iodobenzene SCHEMBL28181435 | 0.79 | PDE4B (0.37) | TSHRALDH1A1CA1CA2CA7 |
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-1874693-B | Food products containing a fruit component | TAKASAGO PERFUMERY CO LTD | 2010-05-05 | — | — | CN | disclosed |
| CN-1874693-A | Food products containing a fruit component | TAKASAGO PERFUMERY CO LTD (JP) | 2006-12-06 | — | — | CN | disclosed |