Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | TACR2 | P21452 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | SHBG | P04278 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TST | Q16762 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1430472 | 0.96 | ALDH1A1 (0.59) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL2615717 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL27362553 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3941872 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9717309 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL2615718 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL13564082 | 0.93 | ESR1 (0.63) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Ammonia Solution, Strong SCHEMBL7005637 | 0.91 | ESR1 (0.61) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8037699 | 0.89 | RARB (0.58) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| Methyl Alcohol SCHEMBL27692953 | 0.89 | ESR1 (0.64) | ALDH1A1ESR1ADRA2AADORA3TACR2 |
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-101323596-B | 2-site ethynyl contained pyrimidine ring liquid crystal compounds and method for preparing the same | SHIJIAZHUANG YONGSHENG HUATSING LIQUID CRYSTAL CO LTD | 2012-05-09 | — | — | CN | disclosed |
| CN-101323596-A | 2-site ethynyl contained pyrimidine ring liquid crystal compounds and method for preparing the same | SHIJIAZHUANG YONGSHENG HUATSIN (CN) | 2008-12-17 | — | — | CN | disclosed |