Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.73 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.73 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.59 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.59 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.59 |
| ▸ | LDHA | P00338 | 2/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30436727 | 1.00 | NPC1 (0.73) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL3502067 | 0.90 | NPC1 (0.63) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL12436558 | 0.89 | LDHA (0.56) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL2947695 | 0.84 | NPC1 (0.75) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL16991665 | 0.84 | NPC1 (0.51) | NPC1RXFP1LDHABAZ2BSMN1; SMN2 | |
| SCHEMBL12392719 | 0.84 | LDHA (0.66) | NPC1RXFP1LDHAHPGDSBAZ2B | |
| SCHEMBL2343432 | 0.83 | LDHA (0.64) | NPC1RXFP1LDHAHPGDSBAZ2B | |
| SCHEMBL2343427 | 0.83 | LDHA (0.64) | NPC1RXFP1LDHAHPGDSBAZ2B | |
| SCHEMBL5658059 | 0.83 | RXFP1 (0.73) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL13100100 | 0.82 | LDHA (0.73) | NPC1RXFP1PTPN1LDHAHPGDS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499613-B | N-carboxamide derivatives, method for the production thereof and their use in medicine | 浙江海正药业股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-111499613-A | N-formamide derivative, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2020-08-07 | — | — | CN | disclosed |
| WO-2020156319-A1 | N-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 浙江海正药业股份有限公司 | 2020-08-06 | — | — | WO | disclosed |