Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CD69 | Q07108 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18668604 | 0.83 | CES2 (0.43) | KMT2ACES2CES1CTSHCTSK | |
| SCHEMBL6743196 | 0.82 | KMT2A (0.60) | KMT2ACD69 | |
| SCHEMBL4832334 | 0.81 | SMN1; SMN2 (0.43) | KMT2ANLRP3 | |
| SCHEMBL9722723 | 0.80 | KMT2A (0.44) | KMT2ACES2CES1CTSHCTSK | |
| SCHEMBL22307831 | 0.79 | CTSH (0.45) | CTSHCTSK | |
| SCHEMBL15197111 | 0.78 | HPGD (0.55) | KMT2ARAB9A | |
| SCHEMBL6744989 | 0.78 | NLRP3 (0.59) | KMT2ANLRP3RAB9A | |
| SCHEMBL836542 | 0.78 | KMT2A (0.56) | KMT2ARAB9A | |
| SCHEMBL22307832 | 0.77 | HPGD (0.37) | KMT2ACES2CES1CTSHCTSK | |
| SCHEMBL22307856 | 0.76 | KMT2A (0.69) | KMT2AMAOBCD69NLRP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354646-B | 8-aryloxy alkoxy substituted xanthine derivative and preparation method and application thereof | 南开大学 | 2022-11-15 | — | — | CN | disclosed |
| CN-113354646-A | 8-aryloxy alkoxy substituted xanthine derivative and preparation method and application thereof | 南开大学 | 2021-09-07 | — | — | CN | disclosed |
| WO-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |