Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 4/20 | 0.55 |
| ▸ | CTSK | P43235 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 6/20 | 0.48 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.46 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29946174 | 0.91 | CASP1 (0.56) | CTSKCASP1 | |
| SCHEMBL9901045 | 0.91 | CASP1 (0.56) | CTSKCASP1 | |
| SCHEMBL9925821 | 0.89 | CTSK (0.52) | CTSKCASP1PSMB8PSMB9PSMB5 | |
| SCHEMBL28712274 | 0.83 | REN (0.56) | RENCTSKCASP1CTSB | |
| SCHEMBL15012737 | 0.83 | REN (0.56) | RENCTSKCASP1CTSB | |
| SCHEMBL24310885 | 0.83 | REN (0.56) | RENCTSKCASP1CTSB | |
| SCHEMBL31346580 | 0.83 | REN (0.56) | RENCTSKCASP1CTSB | |
| SCHEMBL24310886 | 0.83 | REN (0.56) | RENCTSKCASP1CTSB | |
| SCHEMBL2380521 | 0.82 | CTSK (0.54) | RENCTSKPSMB8PSMB9PSMB5 | |
| SCHEMBL30579903 | 0.82 | REN (0.59) | RENCTSKCASP1CTSB |
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-114075263-B | Near infrared molecular probe and preparation and application thereof in detection of granzyme B | 中南大学湘雅三医院 | 2023-09-19 | — | — | CN | disclosed |
| CN-114075263-A | Near-infrared molecular probe, preparation thereof and application thereof in detecting granzyme B | 中南大学湘雅三医院 | 2022-02-22 | — | — | CN | disclosed |