Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.40 |
| ▸ | CCR8 | P51685 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18171776 | 0.84 | GABRA1 (0.41) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL30492599 | 0.82 | CYP3A4 (0.50) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL1071454 | 0.82 | CYP3A4 (0.50) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL1536559 | 0.79 | KDM4E (0.61) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL70338 | 0.77 | KDM4E (0.71) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL29727933 | 0.77 | KDM4E (0.71) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL31322972 | 0.76 | KDM4E (0.38) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL26775415 | 0.76 | KDM4E (0.38) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL30259314 | 0.76 | CTSS (0.42) | CCR1CCR8TDP1CCR5KDM4E | |
| SCHEMBL30438289 | 0.75 | MEN1 (0.37) | KDM4ESMN1; SMN2L3MBTL1TGFBR1CYP3A4 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |