Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.41 |
| ▸ | PRKCG | P05129 | 1/20 | 0.41 |
| ▸ | PRKCB | P05771 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | PRKCH | P24723 | 1/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29198161 | 0.92 | CCR5 (0.49) | CCR5JAK2JAK1CHRM2CHRM4 | |
| SCHEMBL29198283 | 0.88 | CCR5 (0.47) | CCR5JAK2JAK1CHRM2CHRM4 | |
| SCHEMBL29198267 | 0.88 | CCR5 (0.46) | CCR5JAK2JAK1CHRM2CHRM4 | |
| SCHEMBL28512515 | 0.88 | OPRM1 (0.44) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL29198280 | 0.87 | CCR5 (0.48) | CCR5CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28507960 | 0.81 | OPRM1 (0.41) | CHRM1BCHEACHEHSD11B1OPRM1 | |
| SCHEMBL28503417 | 0.81 | OPRM1 (0.41) | CHRM1BCHEACHEHSD11B1OPRM1 | |
| SCHEMBL28510485 | 0.80 | HSD11B1 (0.61) | CCR5CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28511175 | 0.80 | CCR5 (0.50) | CCR5CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3246870 | 0.79 | OPRM1 (0.55) | CCR5CHRM2CHRM4CHRM5CHRM1 |
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-112074511-B | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2024-04-26 | — | — | CN | disclosed |