Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2574218 | 0.82 | SCN4A (0.38) | KMT2AKDM4ESCN4ALMNACYP1A2 | |
| SCHEMBL30286782 | 0.80 | MAPT (0.44) | KMT2AL3MBTL1HPGDKDM4ECYP3A4 | |
| SCHEMBL12296744 | 0.78 | KMT2A (0.47) | KMT2AL3MBTL1HPGDKDM4EHTR1A | |
| SCHEMBL8453893 | 0.76 | SCN9A (0.44) | HTR1ASCN4ALMNACYP1A2SCN1A | |
| SCHEMBL15969496 | 0.75 | SCN4A (0.63) | KMT2ASCN4ALMNACYP1A2SCN1A | |
| SCHEMBL14830019 | 0.75 | SCN4A (0.63) | KMT2ASCN4ALMNACYP1A2SCN1A | |
| SCHEMBL3836783 | 0.75 | — | — | |
| SCHEMBL1224074 | 0.75 | ALOX5AP (0.33) | — | |
| SCHEMBL7930996 | 0.75 | KMT2A (0.52) | KMT2AL3MBTL1HPGDKDM4EHTR1A | |
| SCHEMBL24106680 | 0.74 | KMT2A (0.47) | KMT2AL3MBTL1HPGDKDM4ELMNA |
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-118206555-B | 3, 8-Disubstituted adenine derivative, preparation method and application thereof | 海赋药业(海南)有限责任公司 | 2024-11-22 | — | — | CN | disclosed |
| CN-118206555-A | 3, 8-Disubstituted adenine derivative, preparation method and application thereof | 海赋药业(海南)有限责任公司 | 2024-06-18 | — | — | CN | disclosed |