Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 5/20 | 0.40 |
| ▸ | PLAA | Q9Y263 | 3/20 | 0.40 |
| ▸ | ALPG | P10696 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29379505 | 0.84 | ESR1 (0.49) | ALPLPLAAALPGMAPTSNCA | |
| SCHEMBL28079563 | 0.84 | GSK3B (0.55) | AKR1C3AKR1C2ALPLPLAAALPG | |
| SCHEMBL105705 | 0.81 | CA12 (0.58) | ALPLPLAAALPGMAPTHDAC6 | |
| SCHEMBL31509307 | 0.81 | CA12 (0.58) | ALPLPLAAALPGMAPTHDAC6 | |
| SCHEMBL27769961 | 0.79 | CA12 (0.56) | ALPLPLAAALPGMAPTHDAC6 | |
| SCHEMBL16185986 | 0.79 | NPC1 (0.49) | ALPLPLAAALPGMAPTKDM4E | |
| SCHEMBL1812684 | 0.77 | CA12 (0.64) | AKR1C3AKR1C2MAPTSNCAKDM4E | |
| SCHEMBL10622910 | 0.76 | CYP1A2 (0.44) | ALPLPLAAALPGMAPTKDM4E | |
| SCHEMBL9533712 | 0.76 | TSHR (0.45) | PLAAMGLLPOLB | |
| SCHEMBL28210815 | 0.76 | PTPN1 (0.50) | ALPLALPGMAPTSNCAKDM4E |
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-112358462-B | Synthesis method of piper-nigrum ring derivative | 成都伊诺达博医药科技有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-112358462-A | Synthetic method of piperonyl derivatives | 成都伊诺达博医药科技有限公司 | 2021-02-12 | — | — | CN | disclosed |