Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9705661 | 0.92 | NR1I2 (0.50) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9705828 | 0.87 | NR1I2 (0.44) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9705719 | 0.85 | NR1I2 (0.40) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9862912 | 0.84 | SCARB1 (0.36) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| Win-54954 SCHEMBL8755546 | 0.84 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9705761 | 0.84 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9705776 | 0.84 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9863213 | 0.84 | NR1I2 (0.41) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9863170 | 0.83 | NR1I2 (0.39) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 | |
| SCHEMBL9863104 | 0.82 | CYP3A4 (0.40) | NR1I2CYP3A4CYP2D6SCARB1KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | US | disclosed |