Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23204413 | 1.00 | HRH3 (0.50) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204389 | 0.95 | CYP11B1 (0.51) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204931 | 0.95 | CYP11B1 (0.51) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204403 | 0.93 | HRH3 (0.43) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204378 | 0.92 | CYP11B1 (0.49) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204720 | 0.92 | CYP11B1 (0.49) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204954 | 0.92 | CYP11B1 (0.49) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204439 | 0.92 | CYP11B1 (0.49) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204910 | 0.90 | ESR1 (0.43) | HRH3ESR1ESR2PGRCYP17A1 | |
| SCHEMBL23204719 | 0.90 | HRH3 (0.52) | HRH3PGRCYP17A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021066319-A2 | TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 랩토 | 2021-04-08 | — | — | WO | disclosed |