Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.41 |
| ▸ | PGR | P06401 | 5/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28059684 | 0.83 | ESR1 (0.71) | ESR1ESR2NR3C1PGRNR3C2 | |
| SCHEMBL31435832 | 0.74 | TACR1 (0.40) | NR3C1PGRNR3C2HTTNPSR1 | |
| SCHEMBL27974108 | 0.73 | NR3C1 (0.41) | NR3C1PGRNR3C2HTTNPSR1 | |
| SCHEMBL12706271 | 0.73 | TACR1 (0.44) | NR3C1PGRNR3C2TACR1ALDH1A1 | |
| SCHEMBL28835041 | 0.73 | SLC6A4 (0.47) | NR3C1PGRNR3C2TACR1ALDH1A1 | |
| SCHEMBL5676357 | 0.71 | NR3C1 (0.35) | NR3C1PGRNR3C2 | |
| SCHEMBL6548160 | 0.71 | ACP3 (0.46) | ESR1ESR2NR3C1PGRNR3C2 | |
| SCHEMBL29291899 | 0.71 | ESR1 (0.68) | ESR1ESR2NR3C1PGRNR3C2 | |
| SCHEMBL5739348 | 0.70 | NOS3 (0.43) | ESR1NR3C1PGRNR3C2LMNA | |
| SCHEMBL5756927 | 0.70 | NR3C1 (0.39) | NR3C1PGRNR3C2LMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |