Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL169393 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL17872673 | 0.82 | TSHR (0.47) | ALDH1A1CYP3A4CYP2C19POLBKCNH2 | |
| SCHEMBL17872674 | 0.82 | TSHR (0.47) | ALDH1A1CYP3A4CYP2C19POLBKCNH2 | |
| SCHEMBL19722237 | 0.81 | POLB (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL15600402 | 0.80 | CHRM1 (0.48) | ALDH1A1POLBKCNH2GRIN2BMAPK1 | |
| SCHEMBL26111193 | 0.76 | POLB (0.42) | ALDH1A1POLBKCNH2GRIN2BMAPK1 | |
| SCHEMBL14809700 | 0.75 | POLB (0.46) | ALDH1A1POLBKCNH2GRIN2BMAPK1 | |
| SCHEMBL22273315 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL2721040 | 0.73 | — | — | |
| SCHEMBL1575439 | 0.73 | KMT2A (0.48) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-116829570-A | WEE1 degrading compounds | 北京星奇原生物科技有限公司 | 2023-09-29 | — | — | CN | disclosed |