Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.83 |
| ▸ | CDK4 | P11802 | 2/20 | 0.72 |
| ▸ | CCND1 | P24385 | 2/20 | 0.72 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL28852720 | 0.91 | PTGS2 (1.00) | PTGS2PTGS1SIRT1 | |
| SCHEMBL30240748 | 0.91 | PTGS2 (1.00) | PTGS2PTGS1SIRT1 | |
| SCHEMBL28671670 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1SIRT1 | |
| SCHEMBL28666497 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1SIRT1NPC1RAB9A | |
| SCHEMBL28662567 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1SIRT1NPC1RAB9A | |
| SCHEMBL28650076 | 0.89 | PTGS2 (0.79) | PTGS2PTGS1SIRT1 | |
| SCHEMBL28669150 | 0.89 | PTGS2 (0.79) | PTGS2PTGS1CDK4CCND1NPC1 | |
| SCHEMBL28669074 | 0.87 | PTGS2 (1.00) | PTGS2PTGS1CDK4CCND1SIRT1 | |
| SCHEMBL28928726 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1CDK4CCND1NPC1 | |
| SCHEMBL28653684 | 0.85 | PTGS2 (0.79) | PTGS2PTGS1NPC1RAB9A |
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-113683552-B | Tryptamine salicylic acid compound and preparation and application thereof | 兰州大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-113683552-A | Tryptamine salicylic acid compound and preparation and application thereof | 兰州大学 | 2021-11-23 | — | — | CN | disclosed |