Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | EBP | Q15125 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10491083 | 1.00 | NPC1 (0.42) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL9651810 | 0.94 | TDP1 (0.37) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL11702180 | 0.87 | KCNN4 (0.38) | ALDH1A1DRD3TAAR1 | |
| SCHEMBL6675337 | 0.80 | MAPT (0.41) | ALDH1A1TAAR1 | |
| SCHEMBL8438009 | 0.79 | NPC1 (0.45) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL28644337 | 0.79 | TDP1 (0.38) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL11706536 | 0.78 | TP53 (0.41) | NPC1RAB9APAX8ALDH1A1 | |
| SCHEMBL8436030 | 0.78 | NPC1 (0.44) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL8767767 | 0.78 | TAAR1 (0.44) | KCNH2SIGMAR1EBPOPRM1DRD3 | |
| SCHEMBL7774483 | 0.76 | NPC1 (0.43) | NPC1JAK2RAB9APAX8KCNH2 |
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-115279839-A | Dye composition | 纪和化学工业株式会社 | 2022-11-01 | — | — | CN | disclosed |
| CN-115244139-A | Dye for dyeing with supercritical carbon dioxide | 国立大学法人福井大学 | 2022-10-25 | — | — | CN | disclosed |