Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16878225 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL19997481 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL9485862 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL20997656 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL1071412 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL8693935 | 0.94 | ALDH1A1 (0.44) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL18593786 | 0.94 | CCR5 (0.42) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL25653207 | 0.92 | ALDH1A1 (0.42) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| Hydrochloric Acid SCHEMBL27909291 | 0.92 | ALDH1A1 (0.42) | ALDH1A1CCR5SLC6A1SLC6A11TSHR | |
| SCHEMBL6096270 | 0.91 | ALDH1A1 (0.47) | ALDH1A1CCR5SLC6A1SLC6A11TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-115298184-A | Heterocyclic RIP1 inhibiting compounds | 里格尔药品股份有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115279763-A | RIP1 inhibiting compounds and methods of making and using the same | 里格尔药品股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-114728918-A | RIP1 inhibiting compounds and methods of making and using the same | 里格尔药品股份有限公司 | 2022-07-08 | — | — | CN | disclosed |