Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 4/20 | 0.40 |
| ▸ | RARG | P13631 | 4/20 | 0.40 |
| ▸ | RARA | P10276 | 3/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL720137 | 0.81 | NOTUM (0.50) | HTR1ASLC6A2HTR2CHTR2BSIGMAR1 | |
| SCHEMBL25897220 | 0.80 | BACE1 (0.44) | AKR1B1RARBRARGRARAMAPT | |
| SCHEMBL13668362 | 0.79 | HTR1A (0.41) | HTR1ASLC6A2HTR2CHTR2BSIGMAR1 | |
| SCHEMBL19852058 | 0.75 | AKR1B1 (0.37) | SLC6A2AKR1B1 | |
| SCHEMBL23714628 | 0.74 | HTR1A (0.39) | HTR1ASLC6A2HTR2CHTR2BSIGMAR1 | |
| SCHEMBL23714629 | 0.73 | PDK2 (0.36) | SLC6A2AKR1B1KDM4ERAD52ATM | |
| SCHEMBL11998342 | 0.71 | HTR1A (0.45) | HTR1ASLC6A2HTR2CHTR2BSIGMAR1 | |
| SCHEMBL8293244 | 0.70 | RARA (0.49) | AKR1B1RARBRARGRARAMMP12 | |
| SCHEMBL6578141 | 0.70 | AKR1B1 (0.44) | AKR1B1RARBRARGRARAALDH1A1 | |
| SCHEMBL428277 | 0.69 | HTR2B (0.41) | HTR1ASLC6A2HTR2CHTR2BSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023138362-A1 | WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF | 江苏天士力帝益药业有限公司 | 2023-07-27 | — | — | WO | disclosed |