Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC5 | O15392 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803815 | 1.00 | BIRC5 (0.44) | BIRC5HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL19429275 | 0.95 | CYP2A6 (0.44) | BIRC5HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL17878488 | 0.89 | BIRC5 (0.45) | BIRC5HSD17B1HSD17B2CYP2A6CYP11B1 | |
| SCHEMBL556519 | 0.89 | CYP2A6 (0.53) | BIRC5HSD17B1HSD17B2CYP2A6ESR1 | |
| SCHEMBL24918490 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 | |
| SCHEMBL24918520 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 | |
| SCHEMBL23224394 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 | |
| SCHEMBL24919033 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 | |
| SCHEMBL24751290 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 | |
| SCHEMBL23224710 | 0.89 | HSD17B1 (0.50) | HSD17B1HSD17B2ESR1ESR2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114981991-A | Organic electroluminescent element | 保土谷化学工业株式会社 | 2022-08-30 | — | — | CN | disclosed |