Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 8/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL31545832 | 0.98 | PTGS2 (0.44) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31320348 | 0.83 | ADRB2 (0.42) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31544989 | 0.81 | PTGS2 (0.46) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31320383 | 0.81 | PTGS2 (0.46) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL11795050 | 0.81 | ESR1 (0.47) | PTGS2CYP3A4 | |
| SCHEMBL31320421 | 0.81 | PTGS2 (0.46) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| Methoxymethane SCHEMBL11836609 | 0.80 | PTGS2 (0.40) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31320426 | 0.79 | PTGS2 (0.40) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31320366 | 0.79 | PTGS2 (0.40) | ADRB2PTGS2CYP3A4CNR1CNR2 | |
| SCHEMBL31320428 | 0.79 | PTGS2 (0.40) | ADRB2PTGS2CYP3A4CNR1CNR2 |
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-3931232-A | 3-Alkyl xanthene compounds | SMITHKLINE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |