Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL1362988 | 0.83 | ACHE (0.67) | ACHETSHRESR1KDM4ECYP1A2 | |
| O-Xylene SCHEMBL29076810 | 0.80 | ACHE (0.62) | ACHETSHRESR1KDM4ECYP1A2 | |
| O-Xylene SCHEMBL28178099 | 0.80 | TSHR (0.62) | ACHETSHRESR1KDM4ECYP1A2 | |
| O-Xylene SCHEMBL11302243 | 0.80 | ACHE (0.62) | ACHETSHRESR1KDM4ECYP1A2 | |
| O-Xylene SCHEMBL28550267 | 0.78 | TSHR (0.59) | ACHETSHRKDM4ECYP1A2ALDH1A1 | |
| O-Xylene SCHEMBL28730806 | 0.77 | TSHR (0.43) | ACHETSHRESR1KDM4ECYP1A2 | |
| O-Xylene SCHEMBL15875996 | 0.76 | TSHR (0.77) | ACHETSHRESR1KDM4ECYP1A2 | |
| Benzene SCHEMBL27670717 | 0.76 | LMNA (0.36) | KDM4EALDH1A1LMNA | |
| O-Xylene SCHEMBL28272938 | 0.76 | — | — | |
| O-Xylene SCHEMBL11403331 | 0.74 | ACHE (0.53) | ACHETSHRKDM4ECYP1A2ADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7645436-B1 | Made by mixing at least one metal alkoxide, where the metal is a transition metal, a post-transition metal, an alkali metal, or alkaline earth metal, at least one organosilane, at least one boron oxide compound; use in improving polymer properties | APS LABORATORY (US) | 2010-01-12 | — | — | US | disclosed |