Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | KLK3 | P07288 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL416279 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL414941 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL22167524 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL28473778 | 0.77 | NPSR1 (0.54) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL416281 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL414934 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL415460 | 0.76 | NPSR1 (0.68) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL28470279 | 0.75 | ALDH1A1 (0.49) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL18614964 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL21662347 | 0.74 | MEN1 (0.45) | CYP1A2CYP2C19NPSR1CFTRGOPC |
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-111804340-B | Method for preparing dibenzoxanthene derivative by catalysis of magnetic mesoporous polymeric ionic liquid | 曲阜师范大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-111804340-A | Method for preparing dibenzoxanthene derivative by catalysis of magnetic mesoporous polymeric ionic liquid | 曲阜师范大学 | 2020-10-23 | — | — | CN | disclosed |