Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29154771 | 0.94 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29154827 | 0.94 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29154863 | 0.94 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29208456 | 0.92 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29208389 | 0.92 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL10465304 | 0.86 | — | — | |
| SCHEMBL222547 | 0.84 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| Hydrochloric Acid SCHEMBL28662063 | 0.84 | CHRNB2 (0.59) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL14876888 | 0.82 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL28397823 | 0.79 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114560847-B | Chloroquine photoaffinity molecular probe and preparation method and application thereof | 中国中医科学院中药研究所 | 2022-07-29 | — | — | CN | claimed |
| CN-114560847-A | Chloroquine photoaffinity molecular probe and preparation method and application thereof | 中国中医科学院中药研究所 | 2022-05-31 | — | — | CN | claimed |
| WO-2021217040-A1 | CARBAMATE AND UREA DERIVATIVES | IMMVENTION THERAPEUTIX (US) | 2021-10-28 | — | — | WO | claimed |
| CN-114560847-B | Chloroquine photoaffinity molecular probe and preparation method and application thereof | 中国中医科学院中药研究所 | 2022-07-29 | — | — | CN | disclosed |
| CN-114560847-A | Chloroquine photoaffinity molecular probe and preparation method and application thereof | 中国中医科学院中药研究所 | 2022-05-31 | — | — | CN | disclosed |