Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL9770725 | 0.92 | TSHR (0.63) | TSHRGABRA1GABRB2ESR1RORC | |
| SCHEMBL29654913 | 0.88 | TSHR (0.61) | TSHRGABRA1GABRB2ESR1RORC | |
| SCHEMBL5357776 | 0.88 | TSHR (0.61) | TSHRGABRA1GABRB2ESR1RORC | |
| SCHEMBL5496564 | 0.88 | TSHR (0.61) | TSHRGABRA1GABRB2ESR1RORC | |
| SCHEMBL793225 | 0.88 | TSHR (0.61) | TSHRGABRA1GABRB2ESR1RORC | |
| Phenol SCHEMBL28861199 | 0.81 | TSHR (0.46) | TSHRTDP1CA12CA1CA2 | |
| Phenol SCHEMBL27532020 | 0.80 | GABRA1 (0.52) | TSHRTDP1CA12CA1CA2 | |
| Phenol SCHEMBL28663792 | 0.80 | TSHR (0.75) | TSHRTDP1CA12CA1CA2 | |
| Phenol SCHEMBL29053230 | 0.80 | TSHR (0.75) | TSHRTDP1CA12CA1CA2 | |
| Hydrogen Peroxide SCHEMBL3675725 | 0.80 | TSHR (0.74) | TSHRGABRA1GABRB2RORCPOLB |
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-108341737-A | The rectifying polymerization inhibitor of aromatic olefin monomers, preparation method and applications method | 中国石油化工股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107473924-A | Polymerization inhibitor, preparation method and its application method of vinyl aromatic compound | 中国石油化工股份有限公司 | 2017-12-15 | — | — | CN | disclosed |