Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
| ▸ | ICMT | O60725 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28132503 | 0.98 | NPC1 (0.51) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL28142261 | 0.98 | NPC1 (0.51) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL3918023 | 0.92 | NPC1 (0.61) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL8329334 | 0.87 | ALDH1A1 (0.50) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL607964 | 0.84 | NPC1 (0.67) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL10099720 | 0.83 | MEN1 (0.62) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL8915070 | 0.83 | ADRA2C (0.61) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL1208763 | 0.83 | NPC1 (0.69) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL9809230 | 0.83 | NPC1 (0.69) | NPC1JAK2RAB9APAX8ADRA2C | |
| SCHEMBL817611 | 0.82 | NPC1 (0.59) | NPC1JAK2RAB9APAX8ADRA2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104817485-B | Isoindigo derivative and preparation method thereof | 安徽师范大学 | 2017-04-19 | — | — | CN | claimed |
| CN-104817484-B | 2-indolone derivatives and preparation method thereof | 安徽师范大学 | 2017-04-19 | — | — | CN | claimed |
| CN-104817485-B | Isoindigo derivative and preparation method thereof | 安徽师范大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-104817484-B | 2-indolone derivatives and preparation method thereof | 安徽师范大学 | 2017-04-19 | — | — | CN | disclosed |
| WO-2008047883-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-04-24 | — | — | WO | disclosed |