Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28802343 | 0.95 | MEN1 (0.49) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL30600018 | 0.93 | ESR1 (0.52) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL26604002 | 0.84 | CA1 (0.60) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL24618000 | 0.82 | CA1 (0.58) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL23633460 | 0.82 | ESR1 (0.58) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL10051440 | 0.82 | GSTP1 (0.52) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL30241204 | 0.81 | SLC6A2 (0.36) | CA1CA2ESR1ESR2GSTP1 | |
| SCHEMBL28615439 | 0.81 | SLC6A2 (0.36) | CA1CA2ESR1ESR2GSTP1 | |
| SCHEMBL10051439 | 0.80 | ESR1 (0.56) | CA1CA2ESR1ESR2ALOX5 | |
| SCHEMBL16303027 | 0.80 | ESR1 (0.56) | CA1CA2ESR1ESR2ALOX5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111909171-B | Electron transport material and application thereof | 北京燕化集联光电技术有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-112194663-B | Novel electronic transmission material and application thereof | 北京燕化集联光电技术有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-111662309-B | Compound with multi-heterocyclic structure and application thereof | 北京燕化集联光电技术有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-112194663-A | Novel electronic transmission material and application thereof | 北京燕化集联光电技术有限公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-111909171-A | Novel electronic transmission material and application thereof | 北京燕化集联光电技术有限公司 | 2020-11-10 | — | — | CN | disclosed |
| CN-111662309-A | Compound with multi-heterocyclic structure and application thereof | 北京燕化集联光电技术有限公司 | 2020-09-15 | — | — | CN | disclosed |
| CN-111423390-A | Novel structural compound and application thereof | 北京燕化集联光电技术有限公司 | 2020-07-17 | — | — | CN | disclosed |