Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyclopentanol SCHEMBL29204411 | 0.87 | FFAR3 (0.53) | TSHREPHX1FFAR3CES2CES1 | |
| Cyclohexanol SCHEMBL5495447 | 0.87 | FFAR3 (0.53) | TSHREPHX1FFAR3CES2CES1 | |
| Cyclohexanol SCHEMBL28114542 | 0.85 | ALDH1A1 (0.50) | TDP1TSHREPHX1FFAR3CES2 | |
| Cyclohexanol SCHEMBL11413020 | 0.81 | TSHR (0.46) | TSHREPHX1FFAR3CES2CES1 | |
| Cyclohexanol SCHEMBL11239937 | 0.81 | TSHR (0.67) | TDP1TSHREPHX1CES2CES1 | |
| Cyclohexanol SCHEMBL3313473 | 0.81 | TSHR (0.67) | TDP1TSHREPHX1CES2CES1 | |
| Cyclohexane SCHEMBL27527139 | 0.81 | TDP1 (0.77) | TDP1TSHREPHX1FFAR3CES2 | |
| Cyclopropane SCHEMBL28241954 | 0.81 | — | — | |
| Cycloheptanol SCHEMBL11137565 | 0.78 | TSHR (0.62) | TDP1TSHREPHX1CES2CES1 | |
| Cyclohexanol SCHEMBL21268610 | 0.78 | TSHR (0.62) | TSHREPHX1ALDH1A1KDM4ESHBG |
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-105658628-A | Novel arylalkene derivatives and use thereof as selective estrogen receptor modulators | 北京赛林泰医药技术有限公司 | 2016-06-08 | — | — | CN | disclosed |