Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BMPR1B | O00238 | 1/20 | 0.42 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 9/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25587249 | 0.90 | BACE1 (0.42) | BACE1 | |
| SCHEMBL25586890 | 0.77 | LMNA (0.38) | BACE1MAPT | |
| SCHEMBL10177054 | 0.72 | ALDH1A1 (0.51) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL8553135 | 0.71 | BMPR1B (0.46) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL30832131 | 0.71 | BMPR1B (0.49) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL19980481 | 0.71 | MAOA (0.49) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL19224681 | 0.71 | BMPR1B (0.49) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL520474 | 0.71 | ATAD2 (0.53) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 | |
| SCHEMBL25586433 | 0.69 | RIPK1 (0.43) | BACE1 | |
| SCHEMBL23051012 | 0.69 | TP53 (0.50) | BMPR1BBMPR1ATGFBR1ACVRL1ACVR1 |
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-2024046361-A1 | AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF | 科辉智药生物科技（无锡）有限公司 | 2024-03-07 | — | — | WO | disclosed |