Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29501041 | 1.00 | ESR1 (0.48) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL30491092 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19423080 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19423010 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19423061 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL24167472 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19423059 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL19423099 | 0.83 | HDAC1 (0.65) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL29501013 | 0.81 | HDAC1 (0.56) | ESR1ESR2HDAC1HDAC8HDAC6 | |
| SCHEMBL29501070 | 0.81 | HDAC1 (0.56) | ESR1ESR2HDAC1HDAC8HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114380728-B | Novel diaryl-beta-lactam organic selenium compound, preparation method and application thereof in pharmacy | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-114380728-A | Novel diaryl-beta-lactam organic selenium compound, preparation method and application thereof in pharmacy | 复旦大学 | 2022-04-22 | — | — | CN | disclosed |