Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 8/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10207220 | 1.00 | TSHR (0.39) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL20999124 | 1.00 | TSHR (0.39) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| Hydrochloric Acid SCHEMBL28906443 | 0.98 | TSHR (0.38) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL29952751 | 0.83 | TSHR (0.41) | TSHRALDH1A1NAALAD2CD274KDM4C | |
| SCHEMBL24134793 | 0.79 | NAALAD2 (0.36) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL21451342 | 0.79 | NAALAD2 (0.36) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL21451430 | 0.79 | NAALAD2 (0.36) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL14926764 | 0.79 | NAALAD2 (0.36) | TSHRALDH1A1NAALAD2CD274PDCD1 | |
| SCHEMBL27642886 | 0.79 | TSHR (0.38) | TSHRALDH1A1NAALAD2KDM4CCYP2D6 | |
| SCHEMBL24476511 | 0.79 | NAALAD2 (0.33) | NAALAD2CD274PDCD1PDCD1LG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3943083-A1 | SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME | Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) | 2022-01-26 | — | — | EP | disclosed |
| EP-3733659-A1 | AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION | Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) | 2020-11-04 | — | — | EP | disclosed |
| WO-2020192570-A1 | SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME | 上海再极医药科技有限公司 | 2020-10-01 | — | — | WO | disclosed |