Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2106150 | 0.86 | TSHR (0.41) | ALDH1A1GAAKMT2A | |
| SCHEMBL6069562 | 0.79 | CHRNB2 (0.41) | TDP1MMP3BCL2L1ALDH1A1HSD17B10 | |
| SCHEMBL27579613 | 0.78 | ESR1 (0.56) | ESR1ESR2IDO1TDO2TDP1 | |
| SCHEMBL9181832 | 0.78 | IDO1 (0.47) | ESR1ESR2IDO1TDO2TDP1 | |
| SCHEMBL7493934 | 0.78 | IDO1 (0.48) | IDO1TDO2TDP1ALDH1A1LMNA | |
| SCHEMBL5324736 | 0.78 | LMNA (0.50) | IDO1TDO2ALDH1A1LMNACNR2 | |
| SCHEMBL2939775 | 0.75 | IDO1 (0.57) | ESR1ESR2IDO1TDO2TDP1 | |
| SCHEMBL11408107 | 0.75 | IDO1 (0.36) | IDO1TDO2 | |
| SCHEMBL982047 | 0.74 | IDO1 (0.56) | ESR1ESR2IDO1TDO2TDP1 | |
| SCHEMBL22694327 | 0.74 | IDO1 (0.56) | ESR1ESR2IDO1TDO2TDP1 |
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-108101755-B | Method for preparing chiral 4- (2-propargyl) phenol compound | 中国科学院大连化学物理研究所 | 2021-03-02 | — | — | CN | disclosed |
| CN-108101755-A | A kind of method for preparing chiral 4- (2- propargyls) phenol compound | 中国科学院大连化学物理研究所 | 2018-06-01 | — | — | CN | disclosed |