Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15064090 | 0.83 | NPC1 (0.51) | NPC1RAB9APOLBLMNATP53 | |
| SCHEMBL9482772 | 0.82 | RAB9A (0.45) | NPC1RAB9APOLBLMNACASP3 | |
| SCHEMBL22593395 | 0.77 | NPC1 (0.45) | NPC1RAB9ALMNACES2CES1 | |
| SCHEMBL5250663 | 0.76 | NPC1 (0.42) | NPC1RAB9APOLBLMNACES2 | |
| SCHEMBL6614216 | 0.75 | — | — | |
| SCHEMBL8186357 | 0.75 | CTSK (0.45) | NPC1RAB9ATP53CES2CES1 | |
| SCHEMBL4855491 | 0.75 | BCAT2 (0.64) | NPC1RAB9ALMNAKMT2AKDM4E | |
| SCHEMBL5286958 | 0.74 | RAB9A (0.44) | NPC1RAB9APOLBLMNATP53 | |
| SCHEMBL6607482 | 0.74 | SLC6A3 (0.51) | NPC1RAB9ALMNACES2CES1 | |
| SCHEMBL18884424 | 0.74 | AOC3 (0.50) | NPC1RAB9ALMNACES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433205-A | Polycyclic derivative receptor agonist, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-12-06 | — | — | CN | disclosed |