Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22618695 | 0.82 | SMN1; SMN2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL21501965 | 0.70 | MEN1 (0.47) | TP53PSMB5KMT2ASMN1; SMN2POLB | |
| SCHEMBL14853331 | 0.70 | ANPEP (0.39) | TP53PSMB5ANPEPENPEPKMT2A | |
| SCHEMBL26707070 | 0.70 | MEN1 (0.47) | TP53PSMB5KMT2ASMN1; SMN2POLB | |
| SCHEMBL19190379 | 0.70 | ANPEP (0.39) | TP53PSMB5ANPEPENPEPKMT2A | |
| SCHEMBL19090946 | 0.69 | GAA (0.39) | GAAKMT2ASMN1; SMN2HSD17B10ALDH1A1 | |
| SCHEMBL23221271 | 0.69 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19GAA | |
| SCHEMBL21025750 | 0.68 | SMN1; SMN2 (0.49) | GAAKMT2ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL21814100 | 0.68 | CTSK (0.44) | CYP2D6CYP2C19TP53ANPEPENPEP | |
| SCHEMBL14241975 | 0.68 | GAA (0.65) | CYP2C9CYP2C19GAASMN1; SMN2HSD17B10 |
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-2023109926-A1 | SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG | 南京药石科技股份有限公司 | 2023-06-22 | — | — | WO | disclosed |