Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21763411 | 0.96 | ESR1 (0.52) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL5443845 | 0.92 | CYP1A1 (0.43) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL7596294 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL6372569 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL7590115 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL20313371 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL20313369 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL10029991 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL21834881 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 | |
| SCHEMBL21834815 | 0.84 | ESR1 (0.55) | ESR1ESR2BACE1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3369719-B1 | SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-26 | — | — | EP | disclosed |