Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.56 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 6/20 | 0.44 |
| ▸ | MMP2 | P08253 | 5/20 | 0.43 |
| ▸ | MMP3 | P08254 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24814159 | 1.00 | GRIK1 (0.56) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL23138631 | 0.82 | GRIK1 (0.73) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL7450346 | 0.82 | GRIK1 (0.73) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL29178453 | 0.79 | HTR2A (0.45) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL29178452 | 0.79 | HTR2A (0.45) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL15367088 | 0.77 | GRIK1 (0.55) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL23139419 | 0.77 | GRIK1 (0.55) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL25139574 | 0.77 | PIN1 (0.49) | GRIK1GRIK2HTR2AMMP13MMP2 | |
| SCHEMBL24778761 | 0.76 | NPC1 (0.41) | GRIK1GRIK2HTR2ACYP3A4CYP2C9 | |
| SCHEMBL10769887 | 0.74 | HTR2A (0.54) | GRIK1GRIK2HTR2ACYP1A2CYP3A4 |
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-117561058-A | CDK2 inhibitors and methods of use thereof | 塞迪拉治疗股份有限公司 | 2024-02-13 | — | — | CN | disclosed |