Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24480875 | 0.91 | CACNA2D1 (0.37) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL29317306 | 0.88 | CACNA2D1 (0.34) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL25571687 | 0.87 | NCF1 (0.41) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24204800 | 0.87 | NCF1 (0.43) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24480706 | 0.86 | NCF1 (0.44) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24204675 | 0.85 | NCF1 (0.42) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL25074356 | 0.85 | NCF1 (0.42) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24480754 | 0.85 | GBA1 (0.36) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL3436997 | 0.84 | NCF1 (0.52) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24204398 | 0.84 | NCF1 (0.41) | NCF1CACNA2D1CACNA1BCACNB1CACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131167-A1 | COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF | 海思科医药集团股份有限公司 | 2023-07-13 | — | — | WO | disclosed |
| WO-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |
| WO-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |