Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24868585 | 0.78 | GAA (0.47) | ALDH1A1CYP1A2CYP2C19RAB9ALMNA | |
| SCHEMBL24869072 | 0.75 | NLRP3 (0.54) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4826908 | 0.75 | CYP1A2 (0.55) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL27657821 | 0.74 | ALDH1A1 (0.59) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL23436398 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL6333143 | 0.71 | MAPT (0.63) | ALDH1A1CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL16121830 | 0.70 | ALDH1A1 (0.42) | ALDH1A1NLRP3SMN1; SMN2LMNAHPGD | |
| SCHEMBL1189632 | 0.70 | ALDH1A1 (0.77) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL11161697 | 0.70 | ALDH1A1 (0.54) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL3788964 | 0.70 | ALDH1A1 (0.75) | ALDH1A1NLRP3CYP1A2CYP2C19CYP2C9 |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |