Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10949603 | 0.88 | ALDH1A1 (0.68) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL10950553 | 0.85 | ESR1 (0.70) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL24793774 | 0.85 | TSHR (0.54) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL11233009 | 0.84 | TDP1 (0.54) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL11042175 | 0.83 | TSHR (0.62) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL571227 | 0.82 | CA1 (0.63) | ESR1ALDH1A1TDP1LMNASMN1; SMN2 | |
| SCHEMBL28674915 | 0.82 | SMN1; SMN2 (0.73) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL21088033 | 0.82 | ALDH1A1 (0.51) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL6671602 | 0.81 | KMT2A (0.67) | TSHRESR1ALDH1A1CHRM1SLC6A2 | |
| SCHEMBL21019793 | 0.81 | ACHE (0.57) | TSHRESR1ALDH1A1CHRM1SLC6A2 |
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-106810411-B | A kind of method of acyl chlorides and 1,2- dichloroethanes reaction generation ester | 中国科学院大连化学物理研究所 | 2018-09-04 | — | — | CN | disclosed |
| CN-106810411-A | A kind of method of acyl chlorides and 1,2- dichloroethanes reaction generation ester | 中国科学院大连化学物理研究所 | 2017-06-09 | — | — | CN | disclosed |