Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8401460 | 0.96 | — | — | |
| SCHEMBL1315706 | 0.96 | — | — | |
| SCHEMBL319728 | 0.96 | — | — | |
| SCHEMBL7447123 | 0.94 | TSHR (0.58) | TSHRMMP1MMP2MMP3ACACB | |
| Hydrogen Sulfide SCHEMBL28195736 | 0.94 | TSHR (0.58) | TSHRMMP1MMP2MMP3ACACB | |
| SCHEMBL14344159 | 0.94 | TSHR (0.58) | TSHRMMP1MMP2MMP3ACACB | |
| Ammonia Solution, Strong SCHEMBL28050078 | 0.94 | TSHR (0.58) | TSHRMMP1MMP2MMP3ACACB | |
| Acetone SCHEMBL28215913 | 0.92 | TSHR (0.56) | TSHRMMP1MMP2MMP3ACACB | |
| Sulfuric Acid SCHEMBL6253912 | 0.88 | TSHR (0.52) | TSHRMMP1MMP2MMP3ACACB | |
| Phosphonic Acid SCHEMBL18424925 | 0.88 | TSHR (0.52) | TSHRMMP1MMP2MMP3ACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110218366-A | Isoprene rubber/Nano carbon white composite material, vulcanizate and its preparation method and application | 中国石油化工股份有限公司 | 2019-09-10 | — | — | CN | claimed |
| CN-110218375-A | Butadiene-styrene rubber/Nano carbon white composite material, vulcanizate and its preparation method and application | 中国石油化工股份有限公司 | 2019-09-10 | — | — | CN | claimed |
| CN-110218366-B | Isoprene rubber/nano white carbon black composite material, vulcanized rubber, preparation method and application thereof | 中国石油化工股份有限公司 | 2024-06-04 | — | — | CN | disclosed |