Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 8/20 | 0.68 |
| ▸ | TOP1 | P11387 | 6/20 | 0.68 |
| ▸ | IKBKB | O14920 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.56 |
| ▸ | APLNR | P35414 | 1/20 | 0.56 |
| ▸ | CCR6 | P51684 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | OXTR | P30559 | 1/20 | 0.53 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.53 |
| ▸ | CD81 | P60033 | 1/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4278231 | 1.00 | PTPN1 (0.68) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL13007183 | 0.95 | PTPN1 (0.68) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL29934956 | 0.94 | PTPN1 (0.68) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL13007191 | 0.93 | PTPN1 (0.70) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL12945048 | 0.92 | TOP1 (0.64) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL21288235 | 0.91 | PTPN1 (0.63) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL13559865 | 0.90 | TOP1 (0.62) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL13559856 | 0.90 | TOP1 (0.62) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL13867748 | 0.89 | TOP1 (0.65) | PTPN1TOP1IKBKBNFKB1NFKB2 | |
| SCHEMBL15393756 | 0.89 | TOP1 (0.65) | PTPN1TOP1IKBKBNFKB1NFKB2 |
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-110003146-B | Compound, medicine, extraction method and application | 中国药科大学 | 2022-12-27 | — | — | CN | disclosed |