Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9700333 | 0.88 | CNR1 (0.43) | CNR1CNR2ALDH1A1CYP2C19 | |
| SCHEMBL9700500 | 0.86 | CNR1 (0.46) | CNR1CNR2CYP2C9 | |
| SCHEMBL9728394 | 0.86 | CNR1 (0.46) | CNR1CNR2CYP2C9 | |
| SCHEMBL9700426 | 0.85 | CNR1 (0.45) | CNR1CNR2ALDH1A1CYP2C9 | |
| SCHEMBL9700276 | 0.85 | CNR1 (0.41) | CNR1CNR2CYP2C19 | |
| SCHEMBL9729017 | 0.84 | CNR1 (0.46) | CNR1CNR2CYP2C9 | |
| SCHEMBL9728410 | 0.83 | CNR1 (0.44) | CNR1CNR2CYP2C9 | |
| SCHEMBL9701446 | 0.82 | CNR1 (0.48) | CNR1CNR2ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL9700344 | 0.81 | CNR1 (0.41) | CNR1CNR2CYP2C9 | |
| SCHEMBL9700339 | 0.79 | CNR1 (0.37) | CNR1CNR2ALDH1A1CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |