Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11063478 | 0.82 | TSHR (0.55) | ACHETSHRALDH1A1MEN1KMT2A | |
| O-Xylene SCHEMBL11054463 | 0.81 | TSHR (0.56) | ACHETSHRALDH1A1MEN1KMT2A | |
| O-Xylene SCHEMBL8642954 | 0.80 | TSHR (0.62) | ACHETSHRALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL27491206 | 0.79 | ACHE (0.53) | ACHETSHRALDH1A1MEN1KMT2A | |
| O-Xylene SCHEMBL2028627 | 0.79 | ACHE (0.53) | ACHETSHRALDH1A1MEN1KMT2A | |
| O-Xylene SCHEMBL27284257 | 0.79 | TSHR (0.53) | ACHETSHRALDH1A1MEN1KMT2A | |
| Naphthalene SCHEMBL27801470 | 0.78 | TSHR (0.53) | ACHETSHRALDH1A1MEN1KMT2A | |
| P-Xylene SCHEMBL27502894 | 0.78 | TSHR (0.53) | ACHETSHRALDH1A1MEN1KMT2A | |
| O-Xylene SCHEMBL3673577 | 0.77 | TSHR (0.67) | ACHETSHRALDH1A1TP53CA1 | |
| O-Xylene SCHEMBL1019179 | 0.77 | ACHE (0.67) | ACHETSHRALDH1A1CA1CA2 |
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-1196664-C | hydroformylation of allyl alcohol | ARCO CHEM TECH (US) | 2005-04-13 | — | — | CN | disclosed |
| CN-1394197-A | hydroformylation of allyl alcohol | ARCO CHEM TECH (US) | 2003-01-29 | — | — | CN | disclosed |