Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28070060 | 0.83 | BACE1 (0.55) | BACE1NPC1KDM4EGAARAB9A | |
| SCHEMBL23412838 | 0.79 | ESR2 (0.47) | PDE3BPDE3ACYP1A2NCF1CCNE2 | |
| SCHEMBL27834890 | 0.78 | BACE1 (0.58) | BACE1NPC1KDM4EGAARAB9A | |
| SCHEMBL28405112 | 0.75 | DYRK1A (0.52) | BACE1NPC1KDM4ERAB9AMAPT | |
| SCHEMBL10220179 | 0.74 | BACE1 (0.53) | BACE1NPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL13959081 | 0.73 | HDAC1 (0.49) | BACE1KDM4EALDH1A1PDE3BPDE3A | |
| SCHEMBL11671 | 0.73 | NCF1 (0.67) | BACE1NPC1KDM4EGAARAB9A | |
| SCHEMBL18463883 | 0.71 | BACE1 (0.50) | BACE1NPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL384813 | 0.71 | CYP1A2 (0.63) | BACE1NPC1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL20913337 | 0.70 | SYK (0.49) | BACE1NPC1KDM4EGAARAB9A |
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-2024125668-A1 | HETEROCYCLIC SUBSTITUTED PENTA-SIX-MEMBERED HETEROARYL DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION AND PREPARATION METHOD THEREFOR | 上海海雁医药科技有限公司 | 2024-06-20 | — | — | WO | disclosed |