Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23355358 | 0.79 | NPC1 (0.45) | NPC1RAB9AHRH3TACR3FAAH | |
| SCHEMBL21612828 | 0.76 | NPC1 (0.43) | NPC1RAB9AHRH3TACR3FAAH | |
| SCHEMBL14050311 | 0.73 | NPC1 (0.49) | NPC1RAB9AHRH3KDRFLT1 | |
| SCHEMBL30203116 | 0.72 | NPC1 (0.47) | NPC1RAB9AHRH3TACR3MGLL | |
| SCHEMBL23368156 | 0.72 | NPC1 (0.47) | NPC1RAB9AHRH3TACR3MGLL | |
| SCHEMBL12992722 | 0.72 | MAPK14 (0.48) | NPC1RAB9AKDRBRAF | |
| SCHEMBL2635340 | 0.72 | RAB9A (0.54) | NPC1RAB9AHRH3TACR3MGLL | |
| SCHEMBL1726533 | 0.71 | NPC1 (0.43) | NPC1RAB9AKDRFLT1TACR3 | |
| SCHEMBL1727470 | 0.71 | NPC1 (0.47) | NPC1RAB9AKDRFLT1FLT4 | |
| SCHEMBL12992197 | 0.71 | MAPK14 (0.52) | NPC1RAB9AKDRFLT1SMN1; SMN2 |
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-115803326-B | EGFR inhibitor, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-115803326-A | EGFR inhibitor, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2023-03-14 | — | — | CN | disclosed |