Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.59 |
| ▸ | TACR2 | P21452 | 2/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | SHBG | P04278 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | TST | Q16762 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28534367 | 1.00 | KCNH2 (0.61) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8776979 | 0.98 | KCNH2 (0.63) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL547838 | 0.91 | KCNH2 (0.60) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL13322019 | 0.91 | KCNH2 (0.57) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9421161 | 0.89 | KCNH2 (0.51) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL30395895 | 0.88 | ESR1 (0.59) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6277114 | 0.88 | ESR1 (0.59) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL7186429 | 0.87 | KCNH2 (0.53) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11638031 | 0.87 | ESR1 (0.50) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| Phenol SCHEMBL28242718 | 0.87 | ESR1 (0.64) | KCNH2ESR1ADRA2AADORA3TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109096046-B | Preparation method of halogenated alkane synthesized from styrene and derivatives thereof and trichloroalkane | 温州大学 | 2021-03-02 | — | — | CN | disclosed |