Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 3/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.54 |
| ▸ | TUBB | P07437 | 1/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.54 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.54 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.54 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.54 |
| ▸ | ALPI | P09923 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30380912 | 1.00 | LCK (0.58) | LCKHSD11B1TUBB4ATUBBTUBA3C | |
| SCHEMBL28640571 | 0.83 | ALDH1A1 (0.50) | HSD11B1TUBB4ATUBBTUBA3CAR | |
| SCHEMBL245217 | 0.80 | LCK (0.57) | LCKTUBB4ATUBBTUBA3CAR | |
| SCHEMBL28305491 | 0.79 | LCK (0.59) | LCKALPIMAPTKMT2AALDH1A1 | |
| SCHEMBL30428503 | 0.79 | TOP1 (0.58) | HSD11B1TUBB4ATUBBTUBA3CAR | |
| SCHEMBL20299502 | 0.79 | LCK (0.56) | LCKTUBB4ATUBBTUBA3CAR | |
| SCHEMBL30397389 | 0.79 | LCK (0.56) | LCKTUBB4ATUBBTUBA3CAR | |
| SCHEMBL3276894 | 0.79 | LCK (0.56) | LCKTUBB4ATUBBTUBA3CAR | |
| SCHEMBL20299514 | 0.79 | TUBB4A (0.84) | LCKTUBB4ATUBBTUBA3CAR | |
| SCHEMBL677432 | 0.78 | MAPT (0.62) | LCKTUBB4ATUBBTUBA3CAR |
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-116162076-B | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-116162076-A | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2023-05-26 | — | — | CN | disclosed |