Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 6/20 | 0.54 |
| ▸ | HTR7 | P34969 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29575141 | 0.97 | KDM4E (0.62) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL22922878 | 0.91 | KDM4E (0.51) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL3962101 | 0.78 | KDM4E (0.60) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL13469510 | 0.77 | HTR1A (0.79) | HTR1ADRD3MAOB | |
| SCHEMBL4351612 | 0.77 | TDP1 (0.66) | TDP1 | |
| SCHEMBL3893010 | 0.77 | HTR1A (0.58) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL3886553 | 0.77 | HTR1A (0.58) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL3961898 | 0.77 | ALDH1A1 (0.59) | KDM4EALDH1A1TDP1HTR1AHTR7 | |
| SCHEMBL29459577 | 0.77 | HTR1A (0.65) | ALDH1A1HTR1AHTR7DRD3HRH1 | |
| SCHEMBL28701584 | 0.77 | HTR1A (0.65) | ALDH1A1HTR1AHTR7DRD3HRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114174303-B | Macrocyclic compounds as STING agonists and methods and uses thereof | 印度鲁宾有限公司 | 2024-06-25 | — | — | CN | disclosed |
| EP-4004002-A1 | MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF | Lupin Limited (IN) | 2022-06-01 | — | — | EP | disclosed |