Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.72 |
| ▸ | RAB9A | P51151 | 1/20 | 0.72 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666623 | 0.91 | PTGS1 (0.82) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28409513 | 0.90 | PTGS1 (1.00) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28292519 | 0.90 | PTGS1 (1.00) | PTGS1PTGS2MEN1KMT2ASIRT1 | |
| SCHEMBL28412427 | 0.87 | PTGS1 (0.80) | PTGS1POLBRAB9APTGS2MEN1 | |
| SCHEMBL28669222 | 0.86 | PTGS1 (0.86) | PTGS1PTGS2MEN1KMT2ASIRT1 | |
| SCHEMBL1514569 | 0.83 | NPC1 (0.87) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28671672 | 0.83 | PTGS2 (0.78) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28643189 | 0.83 | NPC1 (0.82) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28662567 | 0.82 | PTGS2 (1.00) | PTGS1NPC1POLBRAB9APTGS2 | |
| SCHEMBL28669074 | 0.82 | PTGS2 (1.00) | PTGS1NPC1POLBRAB9APTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734714-B | Evodia rutaecarpa alkaloid derivative and synthesis method and application thereof | 兰州大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-111116449-A | Novel tryptamine derivative and preparation method and application thereof | 兰州大学 | 2020-05-08 | — | — | CN | disclosed |
| CN-109734714-A | A kind of evodia alkaloid derivative and its synthetic method and application | 兰州大学 | 2019-05-10 | — | — | CN | disclosed |