Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | P4HB | P07237 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
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 | 1.00 | PTPN1 (0.56) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL31014138 | 0.86 | PTPN1 (0.57) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL31014139 | 0.85 | PTPN1 (0.52) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL7035797 | 0.84 | LMNA (0.56) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL7035796 | 0.84 | LMNA (0.56) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL31317684 | 0.82 | PTPN1 (0.49) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL14594588 | 0.81 | ALDH1A1 (0.49) | PTPN1CA1CA2P4HBNPC1 | |
| SCHEMBL521422 | 0.81 | TSHR (0.67) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL521421 | 0.81 | TSHR (0.67) | PTPN1CA1CA2CA12CA7 | |
| SCHEMBL11832993 | 0.81 | ALDH1A1 (0.51) | PTPN1CA1CA2CA12CA7 |
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 |