Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 9/20 | 0.76 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.76 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.60 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.60 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28412156 | 0.90 | PTGS1 (0.77) | PTGS1PTGS2MAPTNPC1RAB9A | |
| SCHEMBL28412518 | 0.88 | PTGS1 (0.76) | PTGS1PTGS2 | |
| SCHEMBL28409511 | 0.87 | PTGS2 (0.78) | PTGS1PTGS2POLBNPC1RAB9A | |
| SCHEMBL28741353 | 0.87 | MEN1 (0.77) | PTGS1PTGS2POLBNPC1RAB9A | |
| SCHEMBL28412161 | 0.84 | PTGS1 (0.79) | PTGS1PTGS2MAPTSMN1; SMN2POLB | |
| SCHEMBL28638898 | 0.83 | PTGS2 (0.72) | PTGS1PTGS2MAPTSMN1; SMN2POLB | |
| SCHEMBL28412425 | 0.83 | PTGS2 (0.72) | PTGS1PTGS2MAPTSMN1; SMN2POLB | |
| SCHEMBL9936095 | 0.83 | CDK4 (0.78) | PTGS1PTGS2MAPTSMN1; SMN2POLB | |
| SCHEMBL28409513 | 0.81 | PTGS1 (1.00) | PTGS1PTGS2POLBNPC1RAB9A | |
| SCHEMBL31177160 | 0.79 | PTGS1 (0.85) | PTGS1PTGS2MAPTSMN1; SMN2POLB |
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-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 |