Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.74 |
| ▸ | NPC1 | O15118 | 5/20 | 0.68 |
| ▸ | RAB9A | P51151 | 5/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.68 |
| ▸ | RELA | Q04206 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.59 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29016187 | 1.00 | KMT2A (0.74) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL16345512 | 0.84 | KMT2A (0.54) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL4868622 | 0.84 | KMT2A (0.74) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL18398726 | 0.84 | KMT2A (0.74) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL45148 | 0.83 | KMT2A (0.73) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL773831 | 0.83 | KMT2A (0.60) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL30533391 | 0.82 | KMT2A (0.71) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL29238994 | 0.82 | KMT2A (0.71) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL22410921 | 0.81 | NPC1 (0.70) | KMT2ANPC1RAB9ATP53MAPT | |
| SCHEMBL30182416 | 0.81 | KMT2A (0.70) | KMT2ANPC1RAB9ATP53MAPT |
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-114213416-B | Irreversible BTK inhibitor with oxazolo [4,5-b ] pyridine structure and application thereof | 杭州医学院 | 2023-06-06 | — | — | CN | disclosed |
| CN-114213416-A | Irreversible BTK inhibitor with oxazolo [4,5-b ] pyridine structure and application thereof | 杭州医学院 | 2022-03-22 | — | — | CN | disclosed |