Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22184048 | 0.74 | MGLL (0.38) | CYP3A4TSHRCYP1A2MAPK1TDP1 | |
| SCHEMBL42947 | 0.73 | MGLL (0.60) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL6392634 | 0.73 | MGLL (0.50) | TSHRMAPK1 | |
| SCHEMBL4796187 | 0.73 | FAAH (0.50) | — | |
| SCHEMBL23676376 | 0.73 | MGLL (0.60) | MAPK1TDP1 | |
| SCHEMBL1111106 | 0.72 | MEN1 (0.50) | TDP1 | |
| SCHEMBL3823955 | 0.69 | NOX4 (0.39) | — | |
| SCHEMBL21702652 | 0.69 | VHL (0.40) | TSHR | |
| SCHEMBL1364061 | 0.69 | MGLL (0.55) | TDP1 | |
| SCHEMBL23627343 | 0.69 | ALDH1A1 (0.39) | TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9850318-B2 | Antibodies to quetiapine haptens and use thereof | JANSSEN PHARMACEUTICA NV (BE) | 2017-12-26 | — | — | US | disclosed |