Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | XDH | P47989 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31014140 | 0.86 | PTPN1 (0.56) | PTPN1XDHCA12CA1CA2 | |
| SCHEMBL31014147 | 0.86 | PTPN1 (0.56) | PTPN1XDHCA12CA1CA2 | |
| SCHEMBL2350832 | 0.83 | PTPN1 (0.63) | PTPN1CA12CA1CA2CA7 | |
| SCHEMBL2352849 | 0.83 | PTPN1 (0.63) | PTPN1CA12CA1CA2CA7 | |
| SCHEMBL31014139 | 0.82 | PTPN1 (0.52) | PTPN1XDHCA12CA1CA2 | |
| SCHEMBL3674623 | 0.77 | PTPN1 (0.57) | PTPN1CA1CA2KDM1AAPP | |
| SCHEMBL3674621 | 0.77 | PTPN1 (0.57) | PTPN1CA1CA2KDM1AAPP | |
| SCHEMBL16687964 | 0.77 | PTPN1 (0.68) | PTPN1CA12CA1CA2CA7 | |
| SCHEMBL19204588 | 0.77 | CA12 (0.57) | PTPN1XDHCA12CA1CA2 | |
| SCHEMBL18552316 | 0.76 | PTPN1 (0.67) | PTPN1CA12CA1CA2CA7 |
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-118439934-A | Adamantane compound containing conjugated vinyl and preparation and application thereof | 浙江大学 | 2024-08-06 | — | — | CN | disclosed |