Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28995590 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28995533 | 0.83 | SCN9A (0.38) | NPSR1 | |
| SCHEMBL28995777 | 0.79 | PLAU (0.39) | — | |
| SCHEMBL28995779 | 0.79 | PLAU (0.39) | — | |
| SCHEMBL28995555 | 0.79 | PLAU (0.38) | CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL28995553 | 0.79 | PLAU (0.38) | CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL25291402 | 0.78 | PSMB5 (0.40) | NPSR1 | |
| SCHEMBL25291401 | 0.78 | PSMB5 (0.40) | NPSR1 | |
| SCHEMBL28995572 | 0.77 | HTT (0.33) | SMN1; SMN2 | |
| SCHEMBL28995571 | 0.77 | HTT (0.33) | SMN1; SMN2 |
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-115916790-A | Pyrido [2,3-b ] [1,4] oxazines or tetrahydropyrido [2,3-b ] [1,4] oxazepines as IAP antagonists | 百济神州有限公司 | 2023-04-04 | — | — | CN | disclosed |