Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 4/20 | 0.32 |
| ▸ | EDNRA | P25101 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23569213 | 0.77 | — | — | |
| SCHEMBL23569836 | 0.71 | PTGS2 (0.49) | PTGS2CYP2A6CYP2B6ALDH1A1HPGD | |
| SCHEMBL23531817 | 0.68 | PTGS2 (0.51) | PTGS2CYP2A6CYP2B6 | |
| SCHEMBL23569410 | 0.68 | PTGS2 (0.51) | PTGS2CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL23569875 | 0.66 | PKLR (0.38) | KDM4EALDH1A1HTT | |
| SCHEMBL23569218 | 0.66 | — | — | |
| SCHEMBL22013641 | 0.65 | MAPT (0.33) | — | |
| SCHEMBL23569314 | 0.65 | PKM (0.36) | EDNRBEDNRAALDH1A1 | |
| SCHEMBL23569214 | 0.65 | — | — | |
| SCHEMBL10680402 | 0.65 | KEAP1 (0.48) | EDNRBEDNRAMEN1KMT2AALDH1A1 |
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-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |